1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
[CAS# 137935-40-1]

Identification

• Name: 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
• Synonyms: 1-isothiocyanato-2-nitro-4-(trifluoromethyl)benzene; 2-Nitro-3,4-difluoro bromobenzene
• Molecular Formula: C₈H₃F₃N₂O₂S
• Molecular Weight: 248.18
• CAS Registry Number: 137935-40-1
• SMILES: c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])N=C=S
• InChI: 1S/C8H3F3N2O2S/c9-8(10,11)5-1-2-6(12-4-16)7(3-5)13(14)15/h1-3H
• InChIKey: PHBSFRFRTKISOH-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 307.329°C at 760 mmHg (Cal.)
• Flash point: 139.668°C (Cal.)
• Refractive index: 1.553 (Cal.)