Introduction：Basic information about CAS 618-85-9|3,5-Dinitrotoluene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Dinitrotoluene |
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| CAS Number | 618-85-9 | Molecular Weight | 182.13400 |
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| Density | 1.407g/cm3 | Boiling Point | 307.5ºC at 760 mmHg |
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| Molecular Formula | C7H6N2O4 | Melting Point | 93ºC |
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| MSDS | / | Flash Point | 152.6ºC |
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Names
| Name | 1-Methyl-3,5-dinitrobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.407g/cm3 |
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| Boiling Point | 307.5ºC at 760 mmHg |
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| Melting Point | 93ºC |
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| Molecular Formula | C7H6N2O4 |
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| Molecular Weight | 182.13400 |
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| Flash Point | 152.6ºC |
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| Exact Mass | 182.03300 |
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| PSA | 91.64000 |
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| LogP | 2.85780 |
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| Index of Refraction | 1.598 |
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| InChIKey | RUIFULUFLANOCI-UHFFFAOYSA-N |
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| SMILES | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XT2150000
- CHEMICAL NAME :
- Toluene, 3,5-dinitro-
- CAS REGISTRY NUMBER :
- 618-85-9
- BEILSTEIN REFERENCE NO. :
- 2052045
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C7-H6-N2-O4
- MOLECULAR WEIGHT :
- 182.15
- WISWESSER LINE NOTATION :
- WNR C1 ENW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 216 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 607 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A080-146 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,309,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 3,5-DINITROTOLUENE-air:10H CA TWA 1.5 mg/m3 (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992
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Safety Information
| Risk Phrases | 45-23/24/25-48/22-62-68-52/53 |
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| HS Code | 2904203000 |
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Customs
| HS Code | 2904203000 |
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| Summary | 2904203000 4-methyl-1,2-dinitrobenzene。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:20.0% |
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Synonyms
| 1-methyl-3,5-dinitrobenzene |
