(3-Nitrophenyl)acetonitrile

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

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%

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)