Benzyl cyano[2-nitro-5-(trifluoromethyl)phenyl]acetate
[CAS# 605668-92-6]

Identification

• Name: Benzyl cyano[2-nitro-5-(trifluoromethyl)phenyl]acetate
• Synonyms: Benzyl ¦Á-cyano-2-nitro-5-(trifluoromethyl)phenylacetate; benzyl 2-cyano-2-(2-nitro-5-(trifluoromethyl)phenyl)acetate; BENZYL Α-CYANO-2-NITRO-5-(TRIFLUOROMETHYL)PHENYLACETATE
• Molecular Formula: C₁₇H₁₁F₃N₂O₄
• Molecular Weight: 364.28
• CAS Registry Number: 605668-92-6
• SMILES: O=C(OCc1ccccc1)C(C#N)c2cc(ccc2[N+]([O-])=O)C(F)(F)F
• InChI: 1S/C17H11F3N2O4/c18-17(19,20)12-6-7-15(22(24)25)13(8-12)14(9-21)16(23)26-10-11-4-2-1-3-5-11/h1-8,14H,10H2
• InChIKey: KXVPEFWSHRPGBO-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Melting point: 70-72°C (Expl.)
• Boiling point: 482.121°C at 760 mmHg (Cal.)
• Flash point: 245.378°C (Cal.)
• Refractive index: 1.552 (Cal.)

Safety Data

• Safety Description: IRRITANT