4-Allyl-5-[(2-Chloro-5-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 590353-81-4]

Identification

• Name: 4-Allyl-5-[(2-Chloro-5-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-[(2-chloro-5-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD03945743
• Molecular Formula: C₁₃H₁₄ClN₃OS
• Molecular Weight: 295.79
• CAS Registry Number: 590353-81-4
• SMILES: CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)S
• InChI: 1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,16,19)
• InChIKey: PREAFWKUAPOBKJ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 475.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 241.3±31.5°C (Cal.)
• Refractive index: 1.623 (Cal.)

Safety Data

• Safety Description: IRRITANT