1-(4-Chlorophenyl)-1H-1,2,3-Triazole-4-Carbaldehyde
[CAS# 113934-27-3]

Identification

• Name: 1-(4-Chlorophenyl)-1H-1,2,3-Triazole-4-Carbaldehyde
• Synonyms: 1-(4-chlorophenyl)-1,2,3-triazole-4-carbaldehyde; 1-(4-Chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde; MFCD01109282
• Molecular Formula: C₉H₆ClN₃O
• Molecular Weight: 207.62
• CAS Registry Number: 113934-27-3
• SMILES: C1=CC(=CC=C1N2C=C(N=N2)C=O)Cl
• InChI: 1S/C9H6ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
• InChIKey: QMQRIACXYRMOBZ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 151-153°C (Expl.)
• Boiling point: 383.8±48.0°C at 760 mmHg (Cal.)
• Flash point: 185.9±29.6°C (Cal.)
• Refractive index: 1.661 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370