4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl- supplier

Name
ALPHA-HYDROXYALPRAZOLAM
EINECS 200-659-6
CAS No. 37115-43-8
Article Data4
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 129-134°C
Formula C₁₇H₁₃ClN₄O
Boiling Point 556.1 °C at 760 mmHg
Molecular Weight 324.769
Flash Point 290.1 °C
Transport Information
Appearance white to off-white powder
Safety 36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Hydroxyalprazolam;1'-Hydroxyalprazolam;6-Phenyl-8-chloro-4H-s-triazolo[4,3-a]benzodiazepine-1-methanol;U 40125;a-Hydroxyalprazolam;(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol;
PSA 60.55000
LogP 1.95230

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl- Specification

The 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl-, with the CAS registry number 37115-43-8, has the systematic name and IUPAC name of (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol. It is a kind of yellow solid, and belongs to the following product categories: Intermediates & Fine Chemicals; Metabolites; Pharmaceuticals; Benzodiazepines and Anxiolytics; Neurobiology; Pharmacologicals. And the molecular formula of the chemical is C₁₇H₁₃ClN₄O.

The characteristics of 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl- are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.3 Å²; (7)Index of Refraction: 1.729; (8)Molar Refractivity: 89.26 cm³; (9)Molar Volume: 223.7 cm³; (10)Polarizability: 35.38×10^-24cm³; (11)Surface Tension: 58.7 dyne/cm; (12)Density: 1.45 g/cm³; (13)Flash Point: 290.1 °C; (14)Enthalpy of Vaporization: 88.14 kJ/mol; (15)Boiling Point: 556.1 °C at 760 mmHg; (16)Vapour Pressure: 3.34E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc3cc2\C(=N/Cc1nnc(n1c2cc3)CO)c4ccccc4
(2)InChI: InChI=1/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
(3)InChIKey: ZURUZYHEEMDQBU-UHFFFAOYAZ

Product Name

ALPHA-HYDROXYALPRAZOLAM

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl- Specification

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