CAS 121-92-6|3-Nitrobenzoic acid
Introduction：Basic information about CAS 121-92-6|3-Nitrobenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | ChineseUSA | Flash Point | 157.5±11.6 °C |
| Symbol | 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 |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc([N+](=O)[O-])c1 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Water Solubility | <0.01 g/100 mL at 18 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
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)
- 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 |
|---|---|
| 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 |
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% |
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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 |
