3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
[CAS# 97765-53-2]

Identification

• Name: 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
• Synonyms: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium acetate
• Molecular Formula: C₂₁H₂₆ClN₇O₂
• Molecular Weight: 443.93
• CAS Registry Number: 97765-53-2
• EINECS: 307-806-4
• SMILES: [O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23
• InChI: 1S/C19H22ClN7.C2H4O2/c1-4-27(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;1-2(3)4/h6-9,12-13,24H,4-5,11H2,1-3H3;1H3,(H,3,4)
• InChIKey: NJJPJNVCILTDHV-UHFFFAOYSA-N

Properties

• Boiling point: 684.4°C at 760 mmHg (Cal.)
• Flash point: 367.7°C (Cal.)