7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid

Base Information

• Chemical Name: 7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid
• CAS No.: 35642-64-9
• Molecular Formula: C20H16ClN9O10S3
• Molecular Weight: 674.04
• European Community (EC) Number: 252-652-2
• DSSTox Substance ID: DTXSID70867869
• Nikkaji Number: J260.659C
• Mol file: 35642-64-9.mol

Synonyms:35642-64-9;EINECS 252-652-2;C.I.Reactive Orange 12;7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid;7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid;C20H16ClN9O10S3;7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid;SCHEMBL3653222;DTXSID70867869;C20-H16-Cl-N9-O10-S3;1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-;7-[2-[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid

Chemical Property of 7-((2-((Aminocarbonyl)amino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.863
• PKA: -1.10±0.40(Predicted)
• PSA: 344.81000
• Density: 2.07 g/cm³
• LogP: 7.32000
• Water Solubility.: 1000g/L at 25℃
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 672.9870790
• Heavy Atom Count: 43
• Complexity: 1370

Purity/Quality:

99.9% ^*data from raw suppliers

CI REACTIVE ORANGE 12 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O