4-Allyl-5-[(2-chloro-4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667414-13-3]

Identification

• Name: 4-Allyl-5-[(2-chloro-4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(2-chloro-4-fluorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(2-chloro-4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD04054696
• Molecular Formula: C₁₂H₁₁ClFN₃OS
• Molecular Weight: 299.75
• CAS Registry Number: 667414-13-3
• SMILES: C=CCN1C(=NN=C1S)COC2=C(C=C(C=C2)F)Cl
• InChI: 1S/C12H11ClFN3OS/c1-2-5-17-11(15-16-12(17)19)7-18-10-4-3-8(14)6-9(10)13/h2-4,6H,1,5,7H2,(H,16,19)
• InChIKey: RWWUTQVRGTXYJN-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 465.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 235.3±31.5°C (Cal.)
• Refractive index: 1.621 (Cal.)

Safety Data

• Safety Description: IRRITANT