Coumarin-3-carbonitrile

Names

[ CAS No. ]:
15119-34-3

[ Name ]:
Coumarin-3-carbonitrile

[Synonym ]:
Coumarin-3-carbonitrile
MFCD00115699
3-CYANOCOUMARIN
2-oxochromene-3-carbonitrile

Chemical & Physical Properties

[ Density]:
1.34 g/cm3

[ Boiling Point ]:
350.7ºC at 760 mmHg

[ Melting Point ]:
184-188 °C(lit.)

[ Molecular Formula ]:
C₁₀H₅NO₂

[ Molecular Weight ]:
171.15200

[ Flash Point ]:
167.2ºC

[ Exact Mass ]:
171.03200

[ PSA ]:
54.00000

[ LogP ]:
1.66468

[ Vapour Pressure ]:
4.32E-05mmHg at 25°C

[ Index of Refraction ]:
1.621

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2218100

CHEMICAL NAME :: 2H-1-Benzopyran-3-carbonitrile, 2-oxo-

CAS REGISTRY NUMBER :: 15119-34-3

BEILSTEIN REFERENCE NO. :: 0142122

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H5-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

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

REFERENCE :: APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 41,391,1983

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
DJ2218100

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

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