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4-[Bis(2-chloroethyl)amino]phenolbenzoate

4-[Bis(2-chloroethyl)amino]phenolbenzoate structure

CAS No:
1233-89-2
Formula:
C17H17Cl2NO2
Chemical Name:
4-[Bis(2-chloroethyl)amino]phenolbenzoate
Synonyms:
Phenol, p-(bis(2-chloroethyl)amino)-, benzoate;BRN 2757533;p-(Bis(2-chloroethyl)amino)phenol benzoate;p-(Bis(2-chloroethyl)amino)phenyl benzoate;Benzoic acid, p-(bis(2-chloroethyl)amino)phenyl ester;CHEMBL3246944;DTXSID10153935;ZINC2003710;4-[Bis(2-chloroethyl)amino]phenol benzoate;LS-104036

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4-[Bis(2-chloroethyl)amino]phenolbenzoate Basic Attributes

Molecular Weight：

338.228

Exact Mass：

337.064

DSSTox ID：

DTXSID10153935

Characteristics

PSA：

29.5

XLogP3：

4.9

Toxicity：

Peritoneal-rat LD50: 20 mg/kg; peritoneal-mouse LD50: 18.5 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:338.2
XLogP3:4.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:337.0636342
Monoisotopic Mass:337.0636342
Topological Polar Surface Area:29.5
Heavy Atom Count:22
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[Bis(2-chloroethyl)amino]phenolbenzoate

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

4-[Bis(2-chloroethyl)amino]phenolbenzoate

SDS

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