(3-Nitrophenyl)acetonitrile

Modify Date: 2024-01-08 16:07:18

(3-Nitrophenyl)acetonitrile Structure
(3-Nitrophenyl)acetonitrile structure
Common Name (3-Nitrophenyl)acetonitrile
CAS Number 621-50-1 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 332.6±17.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 60-62 °C(lit.)
MSDS Chinese USA Flash Point 155.0±20.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Nitrophenylacetonitrile
Synonym More Synonyms

 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

 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
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

 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%

 Articles1

More 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)

 Synonyms

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