2H-1-Benzopyran-3-carbonitrile

Modify Date: 2024-01-07 19:03:17

2H-1-Benzopyran-3-carbonitrile Structure
2H-1-Benzopyran-3-carbonitrile structure
Common Name 2H-1-Benzopyran-3-carbonitrile
CAS Number 57543-66-5 Molecular Weight 157.16900
Density 1.2g/cm3 Boiling Point 305.8ºC at 760 mmHg
Molecular Formula C10H7NO Melting Point N/A
MSDS N/A Flash Point 128.9ºC

 Names

Name 2h-chromene-3-carbonitrile
Synonym More Synonyms

 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

~82%

2H-1-Benzopyran-3-carbonitrile Structure

2H-1-Benzopyran...

CAS#:57543-66-5

Literature: Song, Song; Zhu, Shou-Fei; Pu, Liu-Yang; Zhou, Qi-Lin Angewandte Chemie - International Edition, 2013 , vol. 52, # 23 p. 6072 - 6075 Angew. Chem., 2013 , vol. 125, # 23 p. 6188 - 6191

~78%

2H-1-Benzopyran-3-carbonitrile Structure

2H-1-Benzopyran...

CAS#:57543-66-5

Literature: Ravichandran Synthetic Communications, 2001 , vol. 31, # 8 p. 1233 - 1235

~%

2H-1-Benzopyran-3-carbonitrile Structure

2H-1-Benzopyran...

CAS#:57543-66-5

Literature: Taylor; Tomlinson Journal of the Chemical Society, 1950 , p. 2724

 Synonyms

2H-Chromen-3-carbonitril
2H-1-BENZOPYRAN-3-CARBONITRILE
3-cyanochromene
3-cyano-2H-chromene
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