1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)-

Modify Date: 2025-09-23 17:29:37

1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)- structure	Common Name	1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)-
	CAS Number	76099-04-2	Molecular Weight	312.75000
	Density	1.51g/cm3	Boiling Point	542.8ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₃ClN₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	282.1ºC

Name	brn 5608369

Density	1.51g/cm3
Boiling Point	542.8ºC at 760 mmHg
Molecular Formula	C₁₇H₁₃ClN₂O₂
Molecular Weight	312.75000
Flash Point	282.1ºC
Exact Mass	312.06700
PSA	36.28000
LogP	3.31980
Index of Refraction	1.735
InChIKey	QYSDRADUFDGCMJ-UHFFFAOYSA-N
SMILES	Clc1cccc(C23OCC(Cn4c2nc2ccccc24)O3)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KD1501000

CHEMICAL NAME :: 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-chlorophenyl)-

CAS REGISTRY NUMBER :: 76099-04-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H13-Cl-N2-O2

MOLECULAR WEIGHT :: 312.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/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: 15,199,1980

(1H-benzo[d]imidazol-2-yl)(3-chlorophenyl)methanone structure

(1H-benzo[d]imi...

CAS#:76098-85-6

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1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)- Structure

1,4-Epoxy-1H,3H...

CAS#:76099-04-2

Literature: Dostert; Langlois; Guerret; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 3 p. 199 - 205

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