3,5-Dinitrotoluene

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Names

[ CAS No. ]:
618-85-9

[ Name ]:
3,5-Dinitrotoluene

[Synonym ]:
1-methyl-3,5-dinitrobenzene

Chemical & Physical Properties

[ Density]:
1.407g/cm3

[ Boiling Point ]:
307.5ºC at 760 mmHg

[ Melting Point ]:
93ºC

[ Molecular Formula ]:
C7H6N2O4

[ Molecular Weight ]:
182.13400

[ Flash Point ]:
152.6ºC

[ Exact Mass ]:
182.03300

[ PSA ]:
91.64000

[ LogP ]:
2.85780

[ Index of Refraction ]:
1.598

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 DATA

ACUTE 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

Safety Information

[ Risk Phrases ]:
45-23/24/25-48/22-62-68-52/53

[ HS Code ]:
2904203000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Toluene
  • 2-chloro-1-methyl-3,5-dinitro-benzene
  • Benzenamine,4-methyl-2,6-dinitro-
  • N-(4-Methyl-2,6-dinitrophenyl)acetamide
  • 4'-Methylacetanilide
  • (2-methyl-4,6-dinitro-phenyl)-hydrazine
  • Benzene,1-ethoxy-4-methyl-
  • o-Ethoxytoluene
  • 2-methyl-4,6-dinitro-phenetole
  • (2-methyl-4,6-dinitro-phenyl)-(4-nitro-benzyl)-ether

DownStream

  • 5-Methylbenzene-1,3-diamine
  • 2,6-diaminotoluene
  • 2,4-Diaminotoluene
  • 3,4-Diaminotoluene
  • 2,5-Diaminotoluene
  • 2,3-diaminotoluene
  • 3-FLUORO-5-NITROTOLUENE
  • 3,5-Dinitrobenzoic acid
  • 3,4-dinitrotoluene
  • 1-Bromo-3-methyl-5-nitrobenzene

Customs

[ HS Code ]: 2904203000

[ 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%

Related Compounds

  • 4-Amino-3,5-dinitrotoluene
  • 4-Chloro-3,5-dinitrotoluene
  • 4-ETHOXY-3,5-DINITROTOLUENE
  • 2-Chloro-3,5-dinitrotoluene
  • 4-Methoxy-3,5-dinitrotoluene
  • 2,6-diaMino-3,5-dinitrotoluene
  • N-(2-(furan-2-yl)-2-methoxyethyl)-3-(4-(methylsulfonyl)phenyl)propanamide
  • N-(2-(furan-2-yl)-2-methoxyethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
  • N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
  • Methyl ((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)carbamate
  • N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)cyclopropanecarboxamide
  • N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)cyclobutanecarboxamide
  • S-benzyl (2S)-2-isopropyl-4-pentenethioate
  • N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)pivalamide
  • 2-ethoxy-N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
  • N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)furan-2-carboxamide
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