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4-[Bis(2-bromoethyl)amino]benzoicacid

4-[Bis(2-bromoethyl)amino]benzoicacid structure

CAS No:
2045-18-3
Formula:
C11H13Br2NO2
Chemical Name:
4-[Bis(2-bromoethyl)amino]benzoicacid
Synonyms:
BRN 2737221;BENZOIC ACID, p-(BIS(2-BROMOETHYL)AMINO)-;4-[bis(2-bromoethyl)amino]benzoic acid;p-(Bis(2-bromoethyl)amino)benzoic acid;4-[N,N-Bis(2-bromoethyl)amino]benzoic acid;SCHEMBL7460843;CHEMBL3246928;DTXSID90174401;LS-36144

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4-[Bis(2-bromoethyl)amino]benzoicacid Basic Attributes

Molecular Weight：

351.038

Exact Mass：

350.929

DSSTox ID：

DTXSID90174401

Characteristics

PSA：

40.5

XLogP3：

3.1

Density：

1.7493 (rough estimate)

Toxicity：

Peritoneal-rat LD50: 98 mg/kg; peritoneal-mouse LD50: 88 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and bromide fumes

Safety Information

Storage features：

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

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:351.03
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:350.92925
Monoisotopic Mass:348.93130
Topological Polar Surface Area:40.5
Heavy Atom Count:16
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[Bis(2-bromoethyl)amino]benzoicacid

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

4-[Bis(2-bromoethyl)amino]benzoicacid

SDS

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