3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile formate
[CAS# 97752-32-4]

Identification

• Name: 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile formate
• Synonyms: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium formate
• Molecular Formula: C₂₀H₂₄ClN₇O₂
• Molecular Weight: 429.90
• CAS Registry Number: 97752-32-4
• EINECS: 307-795-6
• SMILES: [O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23
• InChI: 1S/C19H22ClN7.CH2O2/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;2-1-3/h6-9,12-13,24H,4-5,11H2,1-3H3;1H,(H,2,3)
• InChIKey: OXDQSZNXYBCFNZ-UHFFFAOYSA-N

Properties

• Boiling point: 669.4°C at 760 mmHg (Cal.)
• Flash point: 358.6°C (Cal.)