5-[Bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 5-[Bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid
• CAS No.: 4638-46-4
• Molecular Formula: C12H13Cl2NO4
• Molecular Weight: 306.1419
• NSC Number: 41438
• DSSTox Substance ID: DTXSID90285344
• Wikidata: Q82020683

Synonyms:4638-46-4;5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid;NSC41438;DTXSID90285344;NSC-41438

Chemical Property of 5-[Bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.32E-13mmHg at 25°C
• Boiling Point: 559.7°C at 760 mmHg
• Flash Point: 292.3°C
• Density: 1.469g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 305.0221633
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)N(CCCl)CCCl)C(=O)O

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