2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid

Base Information

• Chemical Name: 2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid
• CAS No.: 39669-49-3
• Molecular Formula: C20H23Br2N3O2
• Molecular Weight: 497.2235
• European Community (EC) Number: 254-583-3
• NSC Number: 240419
• UNII: 5MXL56V9K8
• DSSTox Substance ID: DTXSID90960285
• Nikkaji Number: J54.521J
• Wikidata: Q27262576
• ChEMBL ID: CHEMBL1994998
• Mol file: 39669-49-3.mol

Synonyms:2-(4'-di(2''-bromopropyl)aminophenylazo)benzoic acid;CB 10252;CB-10-252;CB-10252;NSC 240419

Chemical Property of 2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid

Chemical Property:

• Vapor Pressure: 5.47E-16mmHg at 25°C
• Boiling Point: 615.1°Cat760mmHg
• Flash Point: 325.8°C
• PSA: 65.26000
• Density: 1.48g/cm³
• LogP: 6.48180
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 497.01365
• Heavy Atom Count: 27
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O