5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid

Base Information

• Chemical Name: 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid
• CAS No.: 3445-91-8
• Molecular Formula: C31H24 Cl N9 O12 S4
• Molecular Weight: 878.28836
• European Community (EC) Number: 222-363-6
• DSSTox Substance ID: DTXSID60865950
• Mol file: 3445-91-8.mol

Synonyms:EINECS 222-363-6;3445-91-8;5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulpho-1-naphthyl]azo]-2,5-xylyl]azo]naphthalene-1,3,6-trisulphonic acid;C31H24ClN9O12S4;DTXSID60865950;C31-H24-Cl-N9-O12-S4;5-{[4-({4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl}diazenyl)-2,5-dimethylphenyl]diazenyl}naphthalene-1,3,6-trisulfonic acid

Chemical Property of 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 377.89000
• Density: 1.86g/cm³
• LogP: 10.91790
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 877.0115796
• Heavy Atom Count: 57
• Complexity: 1940

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N=NC2=C(C=CC3=C2C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)N=NC4=C5C=C(C=CC5=C(C=C4)NC6=NC(=NC(=N6)N)Cl)S(=O)(=O)O