3-(4H-1,2,4-triazol-4-yl)aniline

Base Information

• Chemical Name: 3-(4H-1,2,4-triazol-4-yl)aniline
• CAS No.: 252928-92-0
• Molecular Formula: C8H8N4
• Molecular Weight: 160.178
• Hs Code.: 2933990090
• European Community (EC) Number: 803-616-5,862-816-0
• DSSTox Substance ID: DTXSID00424626
• Wikidata: Q82237280
• Mol file: 252928-92-0.mol

Synonyms:3-(4H-1,2,4-triazol-4-yl)aniline;252928-92-0;3-(1,2,4-triazol-4-yl)aniline;3-[1,2,4]Triazol-4-yl-phenylamine;MFCD07395923;SCHEMBL1354158;DTXSID00424626;CKA92892;3-(1,3,4-triazol-1-yl)aniline;STK744477;AKOS000111503;BS-16745;SY168269;BB 0305335;CS-0156888;EN300-36060;F53082;3-(4H-1,2,4-Triazol-4-yl)aniline, AldrichCPR;Z234894425

Chemical Property of 3-(4H-1,2,4-triazol-4-yl)aniline

Chemical Property:

• Vapor Pressure: 1.97E-06mmHg at 25°C
• Boiling Point: 394.5°C at 760 mmHg
• PKA: 3.71±0.10(Predicted)
• Flash Point: 192.4°C
• PSA: 56.73000
• Density: 1.32g/cm³
• LogP: 1.43070
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.074896272
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

3-(4H-1,2,4-triazol-4-yl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=NN=C2)N