7-((2-((Aminocarbonyl)amino)-4-((2-bromo-1-oxoallyl)amino)phenyl)azo)naphthalene-1,3-disulphonic acid

Base Information

• Chemical Name: 7-((2-((Aminocarbonyl)amino)-4-((2-bromo-1-oxoallyl)amino)phenyl)azo)naphthalene-1,3-disulphonic acid
• CAS No.: 93804-43-4
• Molecular Formula: C20H16 Br N5 O8 S2
• Molecular Weight: 598.40374
• European Community (EC) Number: 298-418-3
• DSSTox Substance ID: DTXSID301106139
• Nikkaji Number: J348.837C
• Mol file: 93804-43-4.mol

Synonyms:EINECS 298-418-3;93804-43-4;7-((2-((Aminocarbonyl)amino)-4-((2-bromo-1-oxoallyl)amino)phenyl)azo)naphthalene-1,3-disulphonic acid;7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonic acid;C20H16BrN5O8S2;DTXSID301106139;C20-H16-Br-N5-O8-S2;7-[[2-[(AMINOCARBONYL)AMINO]-4-[(2-BROMO-1-OXOALLYL)AMINO]PHENYL]AZO]NAPHTHALENE-1,3-DISULFONIC ACID;7-[[2-[(Aminocarbonyl)amino]-4-[(2-bromo-1-oxo-2-propenyl)amino]phenyl]azo]-1,3-naphthalenedisulfonic acid;7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonic aci;7-[2-[2-[(Aminocarbonyl)amino]-4-[(2-bromo-1-oxo-2-propen-1-yl)amino]phenyl]diazenyl]-1,3-naphthalenedisulfonic acid

Chemical Property of 7-((2-((Aminocarbonyl)amino)-4-((2-bromo-1-oxoallyl)amino)phenyl)azo)naphthalene-1,3-disulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 238.92000
• Density: 1.83g/cm³
• LogP: 7.48420
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 596.96237
• Heavy Atom Count: 36
• Complexity: 1100

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Br