CAS 619-72-7|4-Nitrobenzonitrile
Introduction：Basic information about CAS 619-72-7|4-Nitrobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitrobenzonitrile | ||
|---|---|---|---|
| CAS Number | 619-72-7 | Molecular Weight | 148.119 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 307.7±25.0 °C at 760 mmHg |
| Molecular Formula | C7H4N2O2 | Melting Point | 144-147 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 139.9±23.2 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | 4-Nitrobenzonitrile |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 307.7±25.0 °C at 760 mmHg |
| Melting Point | 144-147 °C(lit.) |
| Molecular Formula | C7H4N2O2 |
| Molecular Weight | 148.119 |
| Flash Point | 139.9±23.2 °C |
| Exact Mass | 148.027283 |
| PSA | 69.61000 |
| LogP | 1.19 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.580 |
| InChIKey | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc([N+](=O)[O-])cc1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 140 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 50 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
- TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 50 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
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300-H311 + H331 |
| Precautionary Statements | P261-P264-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S36/37/39-S45-S28A-S36/37-S22 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | DI4903500 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29269095 |
Customs
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles5
More Articles| [A case of methemoglobinemia due to 4-nitrobenzonitrile exposure]. Med. Lav. 82(2) , 137-41, (1991) The paper describes a singular case of acute intoxication by 4-nitrobenzonitrile, a rare intermediate compound produced by pharmaceutical synthesis. The patients subsequently showed an increase in tri... | |
| Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent. Org. Biomol. Chem. 8(2) , 413-8, (2010) The one-electron reduction chemistry of the antituberculosis drug PA-824, together with a series of closely related compounds, has been investigated in irradiated anaerobic propan-2-ol solution. The p... | |
| In vitro metabolism of aromatic nitriles. J. Pharm. Sci. 83(12) , 1729-34, (1994) Studies on the metabolic fate of aromatic nitriles, in contrast to their aliphatic counterparts, have been minimal and the subject of controversy. The in vitro metabolic fate of several aromatic nitri... |
Synonyms
| P-Nitro |
| 4-CYANONITROBENZENE |
| Benzonitrile,4-nitro |
| 4-nitro-benzonitril |
| p-nitrobenzoic acid nitrile |
| 4-Nitrobenzenenitrile |
| P-NITROBENZONITRILE |
| EINECS 210-610-0 |
| P-Nitrophenylacetonitrile |
| 4-Nitrobenzonitrile |
| para-nitro-benzonitrile |
| 4-Nitrobenzolcarbonitril |
| p-nitro-benzonitril |
| p-Cyanonitrobenzene |
| 4-nitrobenzylnitrile |
| Benzonitrile, 4-nitro- |
| MFCD00007279 |
