5-FLUORO-2-NITROPHENYLACETONITRILE

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Names

[ CAS No. ]:
3456-75-5

[ Name ]:
5-FLUORO-2-NITROPHENYLACETONITRILE

[Synonym ]:
Acetonitrile,(5-fluoro-2-nitrophenyl)
5-Fluoro-2-nitrophenylacetonitrile
ACETONITRILE,2-(5-FLUORO-2-NITROPHENYL)
AmbkkkkK707
Benzeneacetonitrile,5-fluoro-2-nitro

Chemical & Physical Properties

[ Density]:
1.367g/cm3

[ Boiling Point ]:
303.6ºC at 760mmHg

[ Melting Point ]:
70-72ºC

[ Molecular Formula ]:
C8H5FN2O2

[ Molecular Weight ]:
180.13600

[ Flash Point ]:
137.4ºC

[ Exact Mass ]:
180.03400

[ PSA ]:
69.61000

[ LogP ]:
2.32318

[ Index of Refraction ]:
1.554

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0200000
CHEMICAL NAME :
Acetonitrile, 2-(5-fluoro-2-nitrophenyl)-
CAS REGISTRY NUMBER :
3456-75-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H5-F-N2-O2
MOLECULAR WEIGHT :
180.15
WISWESSER LINE NOTATION :
WNR DF B1CN

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 :
100 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#04784

Safety Information

[ RIDADR ]:
UN3439

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-chloroacetonitrile
  • 1-Fluoro-4-nitrobenzene
  • 3-Fluorotoluene
  • 1-(Bromomethyl)-3-fluorobenzene
  • 2-(3-Fluorophenyl)acetonitrile
  • (4-Chlorophenoxy)acetonitrile

DownStream

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

  • 5-fluoro-2-(Methylsulfonyl)pyrimidine
  • 5-fluoro-2,4-dimethoxypyrimidine
  • 5-Fluoro-2-piperidin-1-yl-pyrimidin-4-ylamine
  • 5-Fluoro-2-methoxy-4(1H)pyrimidinone
  • 5-Fluoro-2-methylbenzothiazole
  • (5-Fluoro-2-((4-methylpiperidin- 1-yl)methyl)phenyl)boronic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 1-(2-Chloropyrimidin-4-yl)pyrrolidin-3-amine hydrochloride
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 6-Amino-4-cyclohex-3-en-1-yl-3-phenyl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine