5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile

Modify Date: 2024-03-01 18:21:10

5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile structure	Common Name	5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile
	CAS Number	126335-09-9	Molecular Weight	316.25900
	Density	1.45g/cm3	Boiling Point	491.8ºC at 760mmHg
	Molecular Formula	C₁₆H₁₀F₂N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	251.2ºC

Name	4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile

Density	1.45g/cm3
Boiling Point	491.8ºC at 760mmHg
Molecular Formula	C₁₆H₁₀F₂N₂O₃
Molecular Weight	316.25900
Flash Point	251.2ºC
Exact Mass	316.06600
PSA	72.21000
LogP	3.20048
Vapour Pressure	8.15E-10mmHg at 25°C
Index of Refraction	1.595

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LV2627000

CHEMICAL NAME :: Furo(3,4-b)pyridine-3-carbonitrile, 5,7-dihydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5- oxo-

CAS REGISTRY NUMBER :: 126335-09-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H10-F2-N2-O3

MOLECULAR WEIGHT :: 316.28

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 :: >1 gm/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,893,1989

Furo(3,4-b)pyridine-3-carbonitrile, 1,4,5,7-tetrahydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5-oxo- structure

Furo(3,4-b)pyri...

CAS#:92638-16-9

~73%

5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile Structure

5-[2-(difluorom...

CAS#:126335-09-9

Literature: Skrastin'sh, I. P.; Kastron, V. V.; Vitolin', R. O.; Dubur, G. Ya.; Stivrinya, M. I.; Kaidaka, K. A. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 11 p. 893 - 896 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 11 p. 1323 - 1326

methyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate structure

methyl 5-cyano-...

CAS#:100507-47-9

~%

5-[2-(difluoromethoxy)phenyl]-3-methyl-7-oxo-8-oxa-2-azabicyclo[4.3.0] nona-1,3,5-triene-4-carbonitrile Structure

5-[2-(difluorom...

CAS#:126335-09-9

Literature: Skrastin'sh, I. P.; Kastron, V. V.; Vitolin', R. O.; Dubur, G. Ya.; Stivrinya, M. I.; Kaidaka, K. A. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 11 p. 893 - 896 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 11 p. 1323 - 1326

Precursor 1
CAS#:100507-47-9 methyl 5-cyano-...
DownStream 0