2, 5-Dimethyl-4-nitrobenzonitrile

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Names

[ CAS No. ]:
73713-69-6

[ Name ]:
2, 5-Dimethyl-4-nitrobenzonitrile

[Synonym ]:
2,5-Dimethyl-4-nitro-benzonitril
Benzonitrile,5-dimethyl-4-nitro
WLN: WNR B1 E1 DCN
2,5-dimethyl-4-nitro-benzonitrile
BENZONITRILE,2,5-DIMETHYL-4-NITRO

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Boiling Point ]:
342.4ºC at 760 mmHg

[ Molecular Formula ]:
C9H8N2O2

[ Molecular Weight ]:
176.17200

[ Flash Point ]:
160.9ºC

[ Exact Mass ]:
176.05900

[ PSA ]:
69.61000

[ LogP ]:
2.60648

[ Index of Refraction ]:
1.559

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4360000
CHEMICAL NAME :
Benzonitrile, 2,5-dimethyl-4-nitro-
CAS REGISTRY NUMBER :
73713-69-6
BEILSTEIN REFERENCE NO. :
3261793
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8-N2-O2
MOLECULAR WEIGHT :
176.19
WISWESSER LINE NOTATION :
WNR B1 E1 DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00468

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-nitro-2,5-xylidine

DownStream

  • 2,5-dimethyl-4-nitro-benzoic acid

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%

Related Compounds

  • [2,5-dimethyl-4-phenyl-1-(3-phenylprop-2-ynyl)piperidin-4-yl] propanoate,hydrochloride
  • 2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazole
  • (2,5-dimethyl-4-oxofuran-3-yl) but-2-enoate
  • (2,5-dimethyl-4-triphenylphosphaniumylphenyl)-triphenylphosphanium,dibromide
  • 2,5-dimethyl-4-nitrosobenzene-1,3-diol
  • 2,5-dimethyl-4-ethyl oxazole
  • 5-Bromo-2-(3-methoxyphenyl)-3-nitropyridine
  • 1-Octyl-3-(2-propen-1-yl)-1H-imidazolium
  • Benzyl 3-(1-hydroxyethyl)quinolin-7-ylcarbamate
  • (R)-2-Amino-4-(4-trifluoromethylphenyl)butanoic acid
  • (2-Amino-4-methylpentyl)(ethyl)amine
  • Pent-2-en-3-ylboronic acid
  • 2-bromo-2,2-difluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
  • 3-(6-Amino-1,6-dihydro-pyridazin-4-yl)-N-methyl-benzamide
  • 3-[3-(2-Phenyl-pyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid
  • 3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
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