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
  • 2-Amino-3-{[(3-methylfuran-2-yl)methyl]sulfanyl}propanenitrile
  • 2-(Methylamino)-3-{[(3-methylfuran-2-yl)methyl]sulfanyl}propanenitrile
  • 2-Methyl-2-(methylamino)-3-{[(3-methylfuran-2-yl)methyl]sulfanyl}propanenitrile
  • 3-{[(3-Methylfuran-2-yl)methyl]sulfanyl}propanal
  • 1-{[(3-Methylfuran-2-yl)methyl]sulfanyl}butan-2-one
  • 1-{[(3-Methylfuran-2-yl)methyl]sulfanyl}pentan-2-one
  • 5-{[(3-Methylfuran-2-yl)methyl]sulfanyl}pentan-2-one
  • 3-{[(Tert-butoxy)carbonyl]amino}-3-(pyrazin-2-yl)butanoic acid
  • 2-(7-{[(Benzyloxy)carbonyl]amino}bicyclo[4.2.0]octan-7-yl)acetic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-(methylsulfanyl)hexanoic acid
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