2,5-Cyclohexadien-1-one,4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-

Modify Date: 2025-08-26 22:24:09

2,5-Cyclohexadien-1-one,4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl- structure	Common Name	2,5-Cyclohexadien-1-one,4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-
	CAS Number	64048-66-4	Molecular Weight	337.24400
	Density	1.2g/cm3	Boiling Point	470.6ºC at 760mmHg
	Molecular Formula	C₁₇H₁₈Cl₂N₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	238.4ºC

Name	4-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-one

Density	1.2g/cm3
Boiling Point	470.6ºC at 760mmHg
Molecular Formula	C₁₇H₁₈Cl₂N₂O
Molecular Weight	337.24400
Flash Point	238.4ºC
Exact Mass	336.08000
PSA	32.67000
LogP	4.12830
Index of Refraction	1.576
InChIKey	LFWSLDLFKNVKPN-UHFFFAOYSA-N
SMILES	CC1=CC(=O)C=CC1=Nc1ccc(N(CCCl)CCCl)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK5775000

CHEMICAL NAME :: p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-

CAS REGISTRY NUMBER :: 64048-66-4

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H18-Cl2-N2-O

MOLECULAR WEIGHT :: 337.27

WISWESSER LINE NOTATION :: L6V DYJ B1 DUNR DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 70 mg/kg

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

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 13,969,1964

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