2H-1-Benzopyran-3-carbonitrile

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Names

[ CAS No. ]:
57543-66-5

[ Name ]:
2H-1-Benzopyran-3-carbonitrile

[Synonym ]:
2H-Chromen-3-carbonitril
2H-1-BENZOPYRAN-3-CARBONITRILE
3-cyanochromene
3-cyano-2H-chromene

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
305.8ºC at 760 mmHg

[ Molecular Formula ]:
C₁₀H₇NO

[ Molecular Weight ]:
157.16900

[ Flash Point ]:
128.9ºC

[ Exact Mass ]:
157.05300

[ PSA ]:
33.02000

[ LogP ]:
1.98598

[ Index of Refraction ]:
1.602

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2170000

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

CAS REGISTRY NUMBER :: 57543-66-5

BEILSTEIN REFERENCE NO. :: 0125853

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H7-N-O

MOLECULAR WEIGHT :: 157.18

WISWESSER LINE NOTATION :: T66 BO CHJ DCN

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 :: 900 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,81,1976

Safety Information

[ Hazard Codes ]:
Xn

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
1-(2H-1-Benzopyran-3-yl)ethanone
2H-CHROMENE-3-CARBOXYLIC ACID
3,4-dihydro-2h-chromen-3-ylmethanol
CHROMAN-3-YLMETHANAMINE
3-Chromanecarboxylic acid
Chroman-3-one
CHROMAN-3-CARBONYL CHLORIDE
2h-chromen-3-ylmethanol
3-(CHLOROMETHYL)CHROMAN

Related Compounds

2H-1-Benzopyran-3-carbonitrile,5-bromo
2H-1-Benzopyran-3-carbonitrile,2-imino
6-Bromo-2H-1-benzopyran-3-carbonitrile
2-Methyl-2H-1-benzopyran-3-carbonitrile
6-Methoxy-2H-1-benzopyran-3-carbonitrile
5-Methoxy-2H-1-benzopyran-3-carbonitrile