3-Nitrobenzoic acid

Modify Date: 2024-01-01 19:00:12

3-Nitrobenzoic acid Structure
3-Nitrobenzoic acid structure
Common Name 3-Nitrobenzoic acid
CAS Number 121-92-6 Molecular Weight 167.119
Density 1.5±0.1 g/cm3 Boiling Point 340.7±25.0 °C at 760 mmHg
Molecular Formula C7H5NO4 Melting Point 139-141 °C(lit.)
MSDS Chinese USA Flash Point 157.5±11.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Nitrobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 340.7±25.0 °C at 760 mmHg
Melting Point 139-141 °C(lit.)
Molecular Formula C7H5NO4
Molecular Weight 167.119
Flash Point 157.5±11.6 °C
Exact Mass 167.021851
PSA 83.12000
LogP 1.82
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.615
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility <0.01 g/100 mL at 18 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5000000
CHEMICAL NAME :
Benzoic acid, m-nitro-
CAS REGISTRY NUMBER :
121-92-6
BEILSTEIN REFERENCE NO. :
0908644
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C7-H5-N-O4
MOLECULAR WEIGHT :
167.13
WISWESSER LINE NOTATION :
WNR CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
670 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - excitement Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
680 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - excitement Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1820 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - excitement Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
610 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1290 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - aggression
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11375 mg/kg/13W-C
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54600 mg/kg/13W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
500 ug/disc
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6256 No. of Facilities: 389 (estimated) No. of Industries: 7 No. of Occupations: 10 No. of Employees: 4306 (estimated) No. of Female Employees: 1034 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335-H412
Precautionary Statements P261-P273-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R33
Safety Phrases S26-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DH5000000
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles14

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A novel class of benzo[d][1,3]dioxol-5-ylmethyl alkyl/aryl amide and ester analogues of capsaicin were designed, synthesized, and evaluated for their cytotoxic activity against human and murine cancer...

[Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid].

Vopr. Med. Khim. 29(6) , 113-7, (1983)

Hepatotoxic effects of 4-chloro-3-nitrobenzoic acid (x-NBA), 3-nitrobenzoic acid (NBA) and 4-chlorobenzoic acid (CBA) were studied at the doses corresponding to LD50, 1/10 LD50 and 1/50 LD50. The toxi...

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The detection of nitroaromatic compounds, best known as raw materials in explosives preparations, is important in many fields including environmental science, public security and forensics. CdSe quant...

 Synonyms

Benzoic acid,m-nitro
m-Nitrobenzoic acid
EINECS 204-508-5
MFCD00007251
m-Nitrobenzenecarboxylic acid
Metanitrobenzoic acid
3-Nitro-benzoic acid
Benzoic acid,3-nitro
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