3-Nitrobenzoic acid
CAS No.: 121-92-6 Formula: C7H5NO4 Molecular Weight: 167.11900
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3-Nitrobenzoic acid

CAS No.: 121-92-6 Formula: C7H5NO4 Molecular Weight: 167.11900
Suppliers: All (214) China Suppliers (125) Price Available (31) Contractor (15)

Description

3-Nitrobenzoic acid is an organic compound with the formula C6H4(NO2)CO2H. It is a precursor to 3-aminobenzoic acid, which is used to prepare some dyes.

Basic Info

Chemical Name
3-Nitrobenzoic acid
CAS No.
121-92-6
Molecular Formula
C7H5NO4
Molecular Weight
167.11900
PSA
83.12000
LogP
1.81620

Properties

Appearance & Physical State
Light Yellow Crystals
Density
1.468 g/cm3
Boiling Point
340.7ºC at 760 mmHg
Melting Point
140-142ºC
Flash Point
157.5ºC
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
3.26E-05mmHg at 25°C

Safety Info

RTECS
DH5000000
Safety Statements
S24/25
HS Code
2916399090
WGK Germany
3
Risk Statements
R33
Hazard Codes
Xn
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SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name
3-Nitrobenzoic acid

1.2 Other means of identification

Product number
-
Other names
Benzoic acid,m-nitro

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

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

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

H412 Harmful to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

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
3-Nitrobenzoic acid
3-Nitrobenzoic acid
121-92-6
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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include formation of methemoglobin, sensitization, irritation, and corneal damage. ACUTE/CHRONIC HAZARDS: This compound causes skin and eye irritation. When heated to decomposition it emits toxic fumes.

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 compound should be controlled using a dry chemical, carbon dioxide, foam or Halon extinguisher.

5.2 Specific hazards arising from the chemical

Flash point data for this compound are not available but it is probably 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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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
Light Yellow Crystals
Colour
Monoclinic leaflets or prisms
Odour
no data available
Melting point/ freezing point
225°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range
185°C(lit.)
Flammability
no data available
Lower and upper explosion limit / flammability limit
no data available
Flash point
114°C(lit.)
Auto-ignition temperature
no data available
Decomposition temperature
no data available
pH
no data available
Kinematic viscosity
no data available
Solubility
less than 0.1 mg/mL at 17.78°C
Partition coefficient n-octanol/water (log value)
log Kow = 1.83
Vapour pressure
3.26E-05mmHg at 25°C
Density and/or relative density
1.468 g/cm3
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

CombustibleM-NITROBENZOIC ACID is incompatible with strong oxidizers. It is also incompatible with strong bases. It may react with cyanides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated 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: no data available
  • 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: 3-Nitrobenzene reached 42.0% of its theoretical 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, exhibited a pH 6.8-7.0, and temperatures of 15-20°C(1). Decomposition of nitrobenzoic acid by soil microflora inoculum took greater than 64 days(2). After 210 minutes, little oxygen consumption by phenol adapted biological cultures occurred with 3-nitrobenzoic acid(3). The amounts of oxygen consumed after the 210 minute test time are 83 ul (endogenous), 96 ul (cells plus 100 mg/L 3-nitrobenzoic acid), and 342 ul (cells plus phenol - after 90 minutes) which results in a ratio of only 1.2 endogenous to 3-nitrobenzoic acid oxygen consumption(3). 3-Nitrobenzoic acid, present at 100 mg/L, reached 0-12% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(4).

    12.3 Bioaccumulative potential

    An estimated BCF of 3.2 was calculated for 3-nitrobenzoic acid(SRC), using a log Kow of 1.83(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), provided the compound is not metabolized by the organism(SRC).

    12.4 Mobility in soil

    The Koc of 3-nitrobenzoic acid is estimated as 240(SRC), using a log Kow of 1.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-nitrobenzoic acid is expected to have moderate mobility in soil. The pKa of 3-nitrobenzoic acid is 3.46(4), indicating that this compound will existalmost 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: UN1993
    IMDG: UN1993
    IATA: UN1993

    14.2 UN Proper Shipping Name

    ADR/RID: FLAMMABLE LIQUID, N.O.S.
    IMDG: FLAMMABLE LIQUID, N.O.S.
    IATA: FLAMMABLE LIQUID, N.O.S.

    14.3 Transport hazard class(es)

    ADR/RID: 3
    IMDG: 3
    IATA: 3

    14.4 Packing group, if applicable

    ADR/RID: III
    IMDG: III
    IATA: III

    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
    3-Nitrobenzoic acid
    3-Nitrobenzoic acid
    121-92-6
    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)
    Not 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 10, 2017
    Revision Date
    Aug 10, 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 CDCl3Expand

    NMR Spectrum 1H NMR : 90 MHz in CDCl3

    Collapse

    C7 H5 N O4 0.025 g : 0.5 ml CDCl3
    m-nitrobenzoic acid

    Assign. Shift(ppm)
    A 11.67
    B 8.960
    C 8.49
    D 8.47
    E 7.737

    IR : nujol mullExpand
    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
    Intraperitoneal
    LD50 - Lethal dose, 50 percent kill
    Rodent - rat
    670 mg/kg
    1.Sense Organs and Special Senses (Eye)-lacrimation
    2.Behavioral-excitement
    3.Behavioral-aggression
    Intravenous
    LD50 - Lethal dose, 50 percent kill
    Rodent - rat
    680 mg/kg
    1.Sense Organs and Special Senses (Eye)-lacrimation
    2.Behavioral-excitement
    3.Behavioral-aggression
    Parenteral
    LD50 - Lethal dose, 50 percent kill
    Rodent - rat
    1820 mg/kg
    1.Sense Organs and Special Senses (Eye)-lacrimation
    2.Behavioral-excitement
    3.Behavioral-aggression
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