4-nitrobenzoic acid
CAS No.: 62-23-7 Formula: C7H5NO4 Molecular Weight: 167.11900
Search Suppliers

4-nitrobenzoic acid

CAS No.: 62-23-7 Formula: C7H5NO4 Molecular Weight: 167.11900
Suppliers: All (249) China Suppliers (154) Price Available (43) Contractor (14)

Description

4-Nitrobenzoic acid is an organic compound with the formula C6H4(NO2)CO2H. It is a precursor to 4-nitrobenzoyl chloride, the precursor to the anestheic Procaine and folic acid. It is also a precursor to 4-aminobenzoic acid.

Basic Info

Chemical Name
4-nitrobenzoic acid
CAS No.
62-23-7
Molecular Formula
C7H5NO4
Molecular Weight
167.11900
PSA
83.12000
LogP
1.81620

Numbering system

EINECS number
200-526-2
MDL number
MFCD00007352

Properties

Appearance & Physical State
yellow crystals
Density
1.61
Boiling Point
359.1ºC at 760 mmHg
Melting Point
239-242ºC
Flash Point
166.5ºC
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.

Safety Info

RTECS
DH5075000
Safety Statements
S24/25
HS Code
29163900
WGK Germany
1
Risk Statements
R22
Hazard Codes
Xn
Caution Statement
P301 + P312 + P330; P305 + P351 + P338
Signal Word
Warning
Hazard Declaration
H302; H319
Symbol
GHS07
SDS 1.0 Expand

SDS 1.0

Collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name
4-nitrobenzoic acid

1.2 Other means of identification

Product number
-
Other names
p-Nitrobenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses
For industry use only.
Uses advised against
no data available

1.4 Supplier's details

Company
MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address
Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone
+86(21)64956998
Fax
+86(21)54365166

1.5 Emergency phone number

Emergency phone number
+86-400-6021-666
Service hours
Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
4-nitrobenzoic acid
4-nitrobenzoic acid
62-23-7
none
100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes, mucous membranes and upper respiratory tract. ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. It is an irritant of the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants, bases and strong reducing agents.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state
yellow crystals
Colour
Monoclinic leaf from water crystallization
Odour
no data available
Melting point/ freezing point
-33°C(lit.)
Boiling point or initial boiling point and boiling range
96°C/10mmHg(lit.)
Flammability
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit
no data available
Flash point
237°C
Auto-ignition temperature
300°C
Decomposition temperature
350°C
pH
pH = 2.80
Kinematic viscosity
no data available
Solubility
less than 1 mg/mL at 26.11°C
Partition coefficient n-octanol/water (log value)
log Kow = 1.89
Vapour pressure
2.53X10-6 mm Hg at 25°C (est)
Density and/or relative density
1.61
Relative vapour density
no data available
Particle characteristics
no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

CombustibleDust explosion possible if in powder or granular form, mixed with air. If dry, it can be charged electrostatically by swirling, pneumatic transport, pouring, etc.P-NITROBENZOIC ACID is incompatible with strong oxidizers. It is also incompatible with strong bases (potassium hydroxide). It may react with cyanides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Mixtures of the acid with potassium hydroxide (1:2 mol) readly deflagrated, ... .

10.6 Hazardous decomposition products

When heat to decomposition it emits toxic fumes of /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available
  • Skin corrosion/irritation

    no data available

    Serious eye damage/irritation

    no data available

    Respiratory or skin sensitization

    no data available

    Germ cell mutagenicity

    no data available

    Carcinogenicity

    no data available

    Reproductive toxicity

    no data available

    STOT-single exposure

    no data available

    STOT-repeated exposure

    no data available

    Aspiration hazard

    no data available

    12.Ecological information

    12.1 Toxicity

  • Toxicity to fish: LC50 Brachydanio rerio (Zebrafish) >500 mg/L/48-hr; static bioassay (OECD guideline 203)
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available
  • 12.2 Persistence and degradability

    AEROBIC: Decomposition of nitrobenzoic acid took greater than 64 days by a soil microflora innoculum in mineral salts medium(1). After 180 minutes, little oxygen consumption by phenol adapted biological cultures occurred with 4-nitrobenzoic acid(2). The amounts of oxygen consumed after the 180 minute test time are 55 uL (endogenous), 64 uL (cells plus 100 mg/L 3-nitrobenzoic acid), and 346 uL (cells plus phenol - after 90 minutes) which results in a ratio of only 1.2 endogenous to 4-nitrobenzoic acid oxygen consumption(2). In a 2 week Japanese MITI test using 100 mg/L 4-nitrobenzoic acid and 30 mg/L sludge, 4-nitrobenzoic had a theoretical BOD of 62%(3). 4-Nitrobenzene reached 50.2% of its BOD in river water collected from Songhua River, China after 5 days. The river water samples contained about 8.0 mg/L dissolved oxygen, 800-3000/mL bacteria counts, pH 6.8-7.0, and temperatures of 15-20°C(4).

    12.3 Bioaccumulative potential

    An estimated BCF of 3.2 was calculated for 4-nitrobenzoic acid(SRC), using a log Kow of 1.89(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    The Koc of 4-nitrobenzoic acid is estimated as 250(SRC), using a log Kow of 1.89(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-nitrobenzoic acid is expected to have moderate mobility in soil. The pKa of 4-nitrobenzoic acid is 3.44(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

    12.5 Other adverse effects

    no data available

    13.Disposal considerations

    13.1 Disposal methods

    Product

    The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

    Contaminated packaging

    Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

    14.Transport information

    14.1 UN Number

    ADR/RID: Not dangerous goods.
    IMDG: Not dangerous goods.
    IATA: Not dangerous goods.

    14.2 UN Proper Shipping Name

    ADR/RID: unknown
    IMDG: unknown
    IATA: unknown

    14.3 Transport hazard class(es)

    ADR/RID: Not dangerous goods.
    IMDG: Not dangerous goods.
    IATA: Not dangerous goods.

    14.4 Packing group, if applicable

    ADR/RID: Not dangerous goods.
    IMDG: Not dangerous goods.
    IATA: Not dangerous goods.

    14.5 Environmental hazards

    ADR/RID: no
    IMDG: no
    IATA: no

    14.6 Special precautions for user

    no data available

    14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

    no data available

    15.Regulatory information

    15.1 Safety, health and environmental regulations specific for the product in question

    Chemical name Common names and synonyms CAS number EC number
    4-nitrobenzoic acid
    4-nitrobenzoic acid
    62-23-7
    none
    European Inventory of Existing Commercial Chemical Substances (EINECS)
    Listed.
    EC Inventory
    Listed.
    United States Toxic Substances Control Act (TSCA) Inventory
    Listed.
    China Catalog of Hazardous chemicals 2015
    Not Listed.
    New Zealand Inventory of Chemicals (NZIoC)
    Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS)
    Listed.
    Vietnam National Chemical Inventory
    Not Listed.
    Chinese Chemical Inventory of Existing Chemical Substances (China IECSC)
    Listed.

    16.Other information

    Information on revision

    Creation Date
    Aug 12, 2017
    Revision Date
    Aug 12, 2017

    Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%
  • References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

  • Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
    MSDS Expand
    1H NMR : 90 MHz in DMSO-d6Expand

    NMR Spectrum 1H NMR : 90 MHz in DMSO-d6

    Collapse

    C7 H5 N O4 0.043 g : 0.5 ml DMSO-d6
    p-nitrobenzoic acid

    Assign. Shift(ppm)
    A 8.316
    B 8.197

    IR : KBr discExpand
    Mass spectrum (electron ionization)Expand
    Raman : 4880 A,200 M,powderExpand
    UV/Visible spectrumExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Administration into the eye
    Standard Draize test
    Rodent - rabbit
    20 mg/24H
    -
    Oral
    LD50 - Lethal dose, 50 percent kill
    Rodent - rat
    1960 mg/kg
    1.Sense Organs and Special Senses (Eye)-lacrimation
    2.Behavioral-convulsions or effect on seizure threshold
    Intraperitoneal
    LD50 - Lethal dose, 50 percent kill
    Rodent - rat
    1210 mg/kg
    1.Sense Organs and Special Senses (Eye)-lacrimation
    2.Behavioral-convulsions or effect on seizure threshold
  • Recommended Suppliers
  • Hunan Arshine Pharmaceutical Co., Limited

    CHINA

    Purity: 98%

    Lead Time: 1 Week(s)

    Price: -

  • CHINA

    Purity: 0.98%

    Lead Time: 3 Day(s)

    Price: -

  • Shanghai Yuhong Biomedical Technology Co., Ltd.

    CHINA

    Purity: 95+%

    Lead Time: 2 Day(s)

    Price: Min $26.67 /g

  • Shanghai Chengshao Biological Technology Co., Ltd.

    CHINA

    Purity: 99%

    Lead Time: 7 Day(s)

    Price: Min $27.69 /g

  • Henan Tianfu Chemical Co.,Ltd

    CHINA

    Purity: 99%

    Lead Time: 2 Day(s)

    Price: -

  • Wenzhou Win-Win Chemical Co., Ltd.

    CHINA

    Purity: 98%

    Lead Time: 1 Week(s)

    Price: -

  • Shandong xiya chemical technology Co.,LTD

    CHINA

    Purity: 99%

    Lead Time: 0 Day(s)

    Price: -

  • Shandong Xiaoye Chemical Co., Ltd.

    CHINA

    Purity: 99%

    Lead Time: 0 Day(s)

    Price: -

  • Jin Jinle Chemical Co., Ltd.

    CHINA

    Purity: 99.98999999999999%

    Lead Time: 3 Day(s)

    Price: -

  • SHANGHAI YUANYE BIOLOGICAL TECHNOLOGY CO.,LTD

    CHINA

    Purity: -%

    Lead Time: 1 Day(s)

    Price: Min $30 /g

  • More Suppliers>>
    Other items you might be interested in
    Category in MOLBASE