3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile sulfate
[CAS# 97752-33-5]

Identification

• Name: 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile sulfate
• Synonyms: bis[6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium] sulphate
• Molecular Formula: C₃₈H₄₆Cl₂N₁₄O₄S
• Molecular Weight: 865.83
• CAS Registry Number: 97752-33-5
• EINECS: 307-796-1
• SMILES: [O-]S([O-])(=O)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23
• InChI: 1S/2C19H22ClN7.H2O4S/c2*1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5(2,3)4/h2*6-9,12-13,24H,4-5,11H2,1-3H3;(H2,1,2,3,4)
• InChIKey: UHVHFAXRBBOZIP-UHFFFAOYSA-N

Properties

• Boiling point: 1034.5°C at 760 mmHg (Cal.)
• Flash point: 579.4°C (Cal.)