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

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