4-Allyl-5-[(4-Ethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 522606-41-3]

Identification

• Name: 4-Allyl-5-[(4-Ethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-[(4-ethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD03483854
• Molecular Formula: C₁₄H₁₇N₃OS
• Molecular Weight: 275.37
• CAS Registry Number: 522606-41-3
• SMILES: CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)S
• InChI: 1S/C14H17N3OS/c1-3-9-17-13(15-16-14(17)19)10-18-12-7-5-11(4-2)6-8-12/h3,5-8H,1,4,9-10H2,2H3,(H,16,19)
• InChIKey: XDSSEUKLABJYSX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 454.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 228.9±31.5°C (Cal.)
• Refractive index: 1.601 (Cal.)

Safety Data

• Safety Description: IRRITANT