[(4-Allyl-5-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
[CAS# 18204-57-4]

Identification

• Name: [(4-Allyl-5-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
• Synonyms: (4-Allyl-5-phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl; (4-Allyl-5-phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid; (4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
• Molecular Formula: C₁₃H₁₃N₃O₂S
• Molecular Weight: 275.33
• CAS Registry Number: 18204-57-4
• SMILES: C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2
• InChI: 1S/C13H13N3O2S/c1-2-8-16-12(10-6-4-3-5-7-10)14-15-13(16)19-9-11(17)18/h2-7H,1,8-9H2,(H,17,18)
• InChIKey: GZZCGBONHJILEF-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 511.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 263.0±32.9°C (Cal.)
• Refractive index: 1.639 (Cal.)

Safety Data

• Safety Description: IRRITANT