2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
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![2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0e2961a2ccf24ac8a90586fce6eb73a2.png "2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid")
2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
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CAS No:
4213-40-5
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Formula:
C18H19Cl2N3O2
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Chemical Name:
2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
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Synonyms:
Benzoic acid,2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]-;Benzoic acid,o-[[4-[(2-chloroethyl)amino]-o-tolyl]azo]-;Benzoic acid,2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azo]-;2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid;Azo-mustard;2′-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene;NSC 16498;2-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]azo]benzoic acid
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CAS No:
Description
2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid is a nitrogen mustard.
2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid Basic Attributes
380.269
380.27
16498
Characteristics
65.3
4.9
1.4281 (rough estimate)
Abdominal-rat LD50: 45 mg/kg; intravenous-monkey LDL0: 0.95 mg/kg
Flammable; burning produces toxic nitrogen oxides and chloride fumes
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:380.3
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:379.0854322
Monoisotopic Mass:379.0854322
Topological Polar Surface Area:65.3
Heavy Atom Count:25
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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