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alpha-Hydroxytriazolam
[CAS# 37115-45-0]

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Identification
Classification Analytical chemistry >> Standard >> Standard material
Name alpha-Hydroxytriazolam
Synonyms H2529_Sigma; 1-Hydroxymethyltriazolam; 4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepine-1-Methanol, 8-Chloro-6-(2-Chlorophenyl)-
Molecular Structure CAS#: 37115-45-0, alpha-Hydroxytriazolam
Molecular Formula C17H12Cl2N4O
Molecular Weight 359.21
CAS Registry Number 37115-45-0
SMILES C1=CC(=CC3=C1[N]2C(=NN=C2CO)CN=C3C4=C(C=CC=C4)Cl)Cl
InChI 1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
InChIKey BHUYWUDMVCLHND-UHFFFAOYSA-N
Properties
Density 1.542g/cm3 (Cal.)
Boiling point 581.698°C at 760 mmHg (Cal.)
Flash point 305.6°C (Cal.)
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