5-[(4-Chloro-3,5-Dimethylphenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 156867-74-2]

Identification

• Name: 5-[(4-Chloro-3,5-Dimethylphenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiol; 5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol; MFCD03943508
• Molecular Formula: C₁₃H₁₆ClN₃OS
• Molecular Weight: 297.80
• CAS Registry Number: 156867-74-2
• SMILES: CCN1C(=NN=C1S)COC2=CC(=C(C(=C2)C)Cl)C
• InChI: 1S/C13H16ClN3OS/c1-4-17-11(15-16-13(17)19)7-18-10-5-8(2)12(14)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,16,19)
• InChIKey: NKMALVBJLYOZCU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 481.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 245.2±31.5°C (Cal.)
• Refractive index: 1.624 (Cal.)

Safety Data

• Safety Description: IRRITANT