3-(8-Chloro-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-6-yl)phenol

Base Information

• Chemical Name: 3-(8-Chloro-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-6-yl)phenol
• CAS No.: 141490-47-3
• Molecular Formula: C17H13 Cl N4 O
• Molecular Weight: 324.77
• DSSTox Substance ID: DTXSID80161744
• Nikkaji Number: J554.418A
• Mol file: 141490-47-3.mol

Synonyms:U 46195;U-46,195;U-46195;U46,195

Chemical Property of 3-(8-Chloro-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-6-yl)phenol

Chemical Property:

• Vapor Pressure: 9.53E-14mmHg at 25°C
• Boiling Point: 573.3°Cat760mmHg
• Flash Point: 300.5°C
• PSA: 63.30000
• Density: 1.45g/cm³
• LogP: 2.72130
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 324.0777887
• Heavy Atom Count: 23
• Complexity: 474

Purity/Quality:

U46,195 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=CC=C4)O