3-Oxo-2-phenylbutanonitril

Controlled Substances

Psychoactive Drugs/Narcotic Drugs/Hypertoxic Chemicals/Non-Medical Use of Narcotic Drugs and Psychotropic Substances

Names

[ Name ]:
3-Oxo-2-phenylbutanonitril

[Synonym ]:
3-Oxo-2-phenylbutanonitril
MFCD00001867
Benzeneacetonitrile, α-acetyl-
3-Oxo-2-phenylbutanenitrile
EINECS 224-737-4
Benzeneacetonitrile, -acetyl-
α-Aceto-α-cyanotoluene
α-Acetylphenylacetonitrile
Acetoacetonitrile, α-phenyl-
α-Phenylacetoacetonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
235.6±20.0 °C at 760 mmHg

[ Melting Point ]:
92-94 °C(lit.)

[ Molecular Formula ]:
C₁₀H₉NO

[ Molecular Weight ]:
159.185

[ Flash Point ]:
96.3±21.8 °C

[ Exact Mass ]:
159.068420

[ PSA ]:
40.86000

[ LogP ]:
1.24

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.527

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL7708000

CHEMICAL NAME :: Acetonitrile, 2-acetyl-2-phenyl-

CAS REGISTRY NUMBER :: 4468-48-8

BEILSTEIN REFERENCE NO. :: 0743161

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H9-N-O

MOLECULAR WEIGHT :: 159.20

WISWESSER LINE NOTATION :: NCYR&V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
UN 3439 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
AL7708000

[ HS Code ]:
2926909090

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%