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

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

CAS No:
7751-31-7
Formula:
C12H14Cl2N2O2
Chemical Name:
3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one
Synonyms:
BRN 1128403;2-BENZOXAZOLINONE, 3-(BIS(2-CHLOROETHYL)AMINOMETHYL)-;3-(Bis(2-chloroethyl)aminomethyl)-2-benzoxazolinone;3-(Bis-(2-chloraethyl)aminomethyl)benzoxazolon-(2) [German];3-(Bis-(2-chloraethyl)aminomethyl)benzoxazolon-(2);CTK5E4574;DTXSID90228216;ZINC95832500;LS-42262;3-[bis(2-chloroethyl)aminomethyl]benzooxazol-2-one

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

Molecular Weight：

289.156

Exact Mass：

288.043

DSSTox ID：

DTXSID90228216

Characteristics

PSA：

32.8

XLogP3：

2.6

Density：

1.4208 (rough estimate)

Toxicity：

Muscle-rat LD50: 8 mg/kg; peritoneal-mouse LD50: 42 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and chloride fumes

Safety Information

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

Toxicity class：

most toxic

Computed Properties

Molecular Weight:289.15
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:288.0432331
Monoisotopic Mass:288.0432331
Topological Polar Surface Area:32.8
Heavy Atom Count:18
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methionine; chlorpheniramini maleas; hclo2; 1 3 bisphosphoglycerate; 1 pentyl alcohol; 2 methyl 2 butene

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

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

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

SDS

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