3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one

Modify Date: 2025-08-24 16:23:51

3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one structure	Common Name	3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one
	CAS Number	7751-31-7	Molecular Weight	289.15800
	Density	1.349g/cm3	Boiling Point	338ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₄Cl₂N₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	158.2ºC

Name	3-[bis(2-chloroethyl)aminomethyl]-1,3-benzoxazol-2-one

Density	1.349g/cm3
Boiling Point	338ºC at 760 mmHg
Molecular Formula	C₁₂H₁₄Cl₂N₂O₂
Molecular Weight	289.15800
Flash Point	158.2ºC
Exact Mass	288.04300
PSA	38.38000
LogP	2.33160
Index of Refraction	1.578
InChIKey	KDKINIHDQKJCMG-UHFFFAOYSA-N
SMILES	O=c1oc2ccccc2n1CN(CCCl)CCCl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4945000

CHEMICAL NAME :: 2-Benzoxazolinone, 3-(bis(2-chloroethyl)aminomethyl)-

CAS REGISTRY NUMBER :: 7751-31-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H14-Cl2-N2-O2

MOLECULAR WEIGHT :: 289.18

WISWESSER LINE NOTATION :: T56 BNVOJ B1N2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8 mg/kg

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

REFERENCE :: ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 84,227,1975

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42 mg/kg

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

REFERENCE :: ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 84,227,1975

2-Benzoxazolinone structure

2-Benzoxazolinone

CAS#:59-49-4

Formaldehyde structure

Formaldehyde

CAS#:50-00-0

3-BROMO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE structure

3-BROMO-6,7-DIH...

CAS#:334-22-5

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3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one Structure

3-[bis(2-chloro...

CAS#:7751-31-7

Literature: Werner,W. Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, 1966 , vol. 299, p. 513 - 517

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