5-(Trifluoromethyl)-2(3H)-Benzoxazolethione
[CAS# 13451-80-4]

Identification

• Name: 5-(Trifluoromethyl)-2(3H)-Benzoxazolethione
• Synonyms: Brn 1112638; 2-Benzoxazolinethione, 5-(Trifluoromethyl)-; 5-Trifluoromethyl-2-Mercaptobenzoxazole
• Molecular Formula: C₈H₄F₃NOS
• Molecular Weight: 219.18
• CAS Registry Number: 13451-80-4
• SMILES: C1=C(C=CC2=C1NC(O2)=S)C(F)(F)F
• InChI: 1S/C8H4F3NOS/c9-8(10,11)4-1-2-6-5(3-4)12-7(14)13-6/h1-3H,(H,12,14)
• InChIKey: MBQRNNRGEFJOFN-UHFFFAOYSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 242.957°C at 760 mmHg (Cal.)
• Flash point: 100.737°C (Cal.)