1,3-Dihydro-7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2H-1,4-benzodiazep in-2-one

Modify Date: 2025-08-25 11:24:31

1,3-Dihydro-7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2H-1,4-benzodiazep in-2-one structure	Common Name	1,3-Dihydro-7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2H-1,4-benzodiazep in-2-one
	CAS Number	129178-92-3	Molecular Weight	377.66300
	Density	1.48g/cm3	Boiling Point	533.9ºC at 760mmHg
	Molecular Formula	C₁₇H₁₄BrClN₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	276.7ºC

Name	7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one

Density	1.48g/cm3
Boiling Point	533.9ºC at 760mmHg
Molecular Formula	C₁₇H₁₄BrClN₂O
Molecular Weight	377.66300
Flash Point	276.7ºC
Exact Mass	375.99800
PSA	32.67000
LogP	3.80540
Vapour Pressure	1.77E-11mmHg at 25°C
Index of Refraction	1.653
InChIKey	IFBWQIMNVMDGCK-UHFFFAOYSA-N
SMILES	CC1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF2361000

CHEMICAL NAME :: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-

CAS REGISTRY NUMBER :: 129178-92-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H14-Br-Cl-N2-O

MOLECULAR WEIGHT :: 377.69

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: >800 mg/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: 24,365,1990

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