3,4-dinitrotoluene

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Names

[ CAS No. ]:
610-39-9

[ Name ]:
3,4-dinitrotoluene

[Synonym ]:
Toluene,3,4-dinitro
3,4-Dinitro-toluol
MFCD00007270
1-methyl-3,4-dinitrobenzene
EINECS 210-222-1
3,4-dinitrotoluene
Benzene,4-methyl-1,2-dinitro
3,4-DNT

Chemical & Physical Properties

[ Density]:
1.407g/cm3

[ Boiling Point ]:
350.8ºC at 760 mmHg

[ Melting Point ]:
54-57 °C(lit.)

[ Molecular Formula ]:
C7H6N2O4

[ Molecular Weight ]:
182.13400

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
182.03300

[ PSA ]:
91.64000

[ LogP ]:
2.85780

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT2100000
CHEMICAL NAME :
Toluene, 3,4-dinitro-
CAS REGISTRY NUMBER :
610-39-9
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C7-H6-N2-O4
MOLECULAR WEIGHT :
182.15
WISWESSER LINE NOTATION :
WNR D1 FNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
807 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 :
747 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - rat Liver
REFERENCE :
SinJF# Personal Communication from J.F. Sina, Merck Institute for Therapeutic Research, West Point, PA 19486, Oct. 26, 1982 Volume(issue)/page/year: 26OCT1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 3,4-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

[ Hazard Codes ]:
T,N

[ Risk Phrases ]:
45-23/24/25-48/22-51/53-62-68

[ Safety Phrases ]:
S53-S45-S61

[ RIDADR ]:
UN 3454 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XT2100000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2904203000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Amino-2-nitro-4-methylbenzene
  • 4-methyl-2-nitro-1-nitroso-benzene
  • Toluene
  • 3-Nitrotoluene
  • Acetamide,N-(2-methyl-5-nitrophenyl)-
  • 2-Nitro-p-acetotoluidide
  • 6-methyl-2,3-dinitroaniline
  • 3,4-dinitro-6-methylaniline
  • 2,3-dinitro-5-methylaniline
  • 3,5-Dinitrotoluene

DownStream

  • 3,4-diaminobenzophenone monohydrochloride
  • 3,4-Diaminotoluene
  • 5-Methylbenzene-1,3-diamine
  • 2,6-diaminotoluene
  • 2,4-Diaminotoluene
  • 2,5-Diaminotoluene
  • 2,3-diaminotoluene
  • 5-Methyl-2-nitroaniline
  • 1-Amino-2-nitro-4-methylbenzene
  • 3-Chloro-4-nitrotoluene

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

  • 2-amino-3,4-dinitrotoluene
  • 3,4-dinitro-6-methylaniline
  • 3,4-DIFLUORO-4'-PIPERIDINOMETHYL BENZOPHENONE
  • 3-(4-amino-2-cyanoimino-5,6-dihydropyrimidin-1-yl)propanenitrile
  • 3-(4-chlorophenyl)-4-phenyl-1,2-oxazole
  • 3,4-dichloro-7-methoxy-2,2,8-trimethylchromene