3-fluoro-4-cyanophenyl-4'-ethylbenzoate

Catalog Number

86776-50-3

CAS

86776-50-3

IUPAC Name

(4-cyano-3-fluorophenyl) 4-ethylbenzoate

Synonyms

4-Cyano-3-fluorophenyl-4-ethylbenzoate; 3-Fluoro-4-cyanophenyl 4-ethylbenzoate

Molecular Formula

C16H12FNO2

Product Information

Purity

95%

MDL

MFCD00689047

Physical State

Solid

Appearance

White to Almost white powder to crystal

Melting Point

79 °C

Solubility

soluble in Methanol

Safety Information

Signal Word

Warning

Precautionary Statement

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Canonical SMILES

CCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO2/c1-2-11-3-5-12(6-4-11)16(19)20-14-8-7-13(10-18)15(17)9-14/h3-9H,2H2,1H3

InChI Key

CDXMJQJMSJCJLU-UHFFFAOYSA-N