(3-Nitrophenyl)acetonitrile

Suppliers

Names

[ CAS No. ]:
621-50-1

[ Name ]:
(3-Nitrophenyl)acetonitrile

[Synonym ]:
EINECS 210-689-1
(3-Nitrophenyl)acetonitrile
2-(3-nitrophenyl)acetonitrile
Benzeneacetonitrile, 3-nitro-
MFCD00041249

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
332.6±17.0 °C at 760 mmHg

[ Melting Point ]:
60-62 °C(lit.)

[ Molecular Formula ]:
C8H6N2O2

[ Molecular Weight ]:
162.145

[ Flash Point ]:
155.0±20.9 °C

[ Exact Mass ]:
162.042923

[ PSA ]:
69.61000

[ LogP ]:
1.18

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.577

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1247000
CHEMICAL NAME :
Acetonitrile, (m-nitrophenyl)-
CAS REGISTRY NUMBER :
621-50-1
BEILSTEIN REFERENCE NO. :
1867862
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-N2-O2
MOLECULAR WEIGHT :
162.16
WISWESSER LINE NOTATION :
WNR C1CN

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 :
45 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#12481

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AM1247000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Nitrobenzyl chloride
  • Sodium cyanide
  • 3-Nitrobenzyl bromide
  • Tetrabutylammonium cyanide
  • sodium cyanide
  • 1-((methoxymethoxy)methyl)-3-nitrobenzene
  • 3-Nitrochlorobenzene
  • sodium cyanoacetate

DownStream

  • 2-(3-Aminophenyl)acetonitrile
  • TERT-BUTYL 3-AMINOPHENETHYLCARBAMATE
  • 2-(3-Nitrophenyl)ethanamine
  • 3-Nitrophenylaceticacid
  • 3-hydroxypheny acetonitrile
  • Benzoic acid, 3-nitro-,ethyl ester
  • Methyl 2-(3-aminophenyl)acetate
  • 3-Hydroxyphenylacetic acid
  • Methyl 3-nitrobenzoate
  • 3-nitrobenzeneethanol

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%

Articles

Carbon-carbon bond cleavage and esterification of phenylacetonitrile and its derivatives affording the corresponding benzoic esters. Wang Z, et al.

J. Chem. Res. (M) 2007(6) , 323-24, (2007)


More Articles

Related Compounds

  • 2-hydroxy-2-(3-nitrophenyl)acetonitrile
  • 2-hydroxy-2-(3-nitrophenyl)acetonitrile
  • 2-(N-anilino)-2-(3-nitrophenyl)acetonitrile
  • 2-(4-methyl-3-nitrophenyl)acetonitrile
  • 2-(4-amino-3-nitrophenyl)acetonitrile
  • 2-(2,6-Difluoro-3-nitrophenyl)acetonitrile
  • 3-(2,2-difluoroethoxy)-1-methyl-1H-pyrazol-4-amine
  • Methyl 3-(1-isopropyl-5-methyl-1H-pyrazol-4-yl)propiolate
  • 3-Methyl-1-propyl-1H-pyrazole-4-sulfonic acid
  • Methyl 3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propiolate
  • 1-methyl-3-phenoxy-1H-pyrazol-4-amine
  • Methyl 3-(1-isopropyl-3-methyl-1H-pyrazol-4-yl)propiolate
  • 1-(1-Acetylpyrrolidine-2-carbonyl)azetidine-3-carboxylic acid
  • 1-[4-(4-Piperazin-1-yl-phenoxy)-piperidin-1-yl]-ethanone
  • 2-(S)-1-Pyrrolidin-2-ylmethyl-2,5,6,7,8,9-hexahydro-cyclohepta[c]pyridazin-3-one
  • 5-iodo-N,N-dimethyl-4-(1-methylpiperidin-2-yl)pyrimidin-2-amine
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