Introduction:Basic information about CAS 5131-58-8|4-Nitro-1,3-phenylenediamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitro-1,3-phenylenediamine |
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| CAS Number | 5131-58-8 | Molecular Weight | 153.13900 |
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| Density | 1.446 g/cm3 | Boiling Point | 430.2ºC at 760 mmHg |
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| Molecular Formula | C6H7N3O2 | Melting Point | 161°C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4-Nitro-1,3-phenylenediamine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.446 g/cm3 |
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| Boiling Point | 430.2ºC at 760 mmHg |
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| Melting Point | 161°C |
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| Molecular Formula | C6H7N3O2 |
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| Molecular Weight | 153.13900 |
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| Exact Mass | 153.05400 |
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| PSA | 97.86000 |
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| LogP | 2.44480 |
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| Index of Refraction | 1.708 |
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| InChIKey | DPIZKMGPXNXSGL-UHFFFAOYSA-N |
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| SMILES | Nc1ccc([N+](=O)[O-])c(N)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ST2910000
- CHEMICAL NAME :
- m-Phenylenediamine, 4-nitro-
- CAS REGISTRY NUMBER :
- 5131-58-8
- BEILSTEIN REFERENCE NO. :
- 2094904
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C6-H7-N3-O2
- MOLECULAR WEIGHT :
- 153.16
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition Blood - hemorrhage
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 100 ug/plate
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1663 No. of Facilities: 269 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1615 (estimated)
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Safety Information
| Risk Phrases | R22;R36/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | ST2910000 |
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| HS Code | 2921519090 |
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Customs
| HS Code | 2921519090 |
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| Summary | 2921519090. o-, m-, p-phenylenediamine, diaminotoluenes, and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 4-Nitro-m-phenylenediamine |
| 4-Nitro-1,3-phenylenediaMine |
| EINECS 225-876-3 |
| 1,3-Diamino-4-nitrobenzene |
| 4-Nitrobenzene-1,3-diamine |
| MFCD00025289 |