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4'-Cyano-3'-fluorophenyl-4-butylbenzoate

Catalog Number
86776-52-5
CAS
86776-52-5
IUPAC Name
(4-cyano-3-fluorophenyl) 4-butylbenzoate
Synonyms
4-Cyano-3-fluorophenyl 4-butylbenzoate
Molecular Formula
C18H16FNO2
Chemical structural formula

Product Information

Purity
95%
MDL
MFCD11053362
Physical State
Liquid
Appearance
Colorless to Light yellow to Light orange clear liquid to cloudy liquid
Storage
Sealed in dry. Room temperature.
Boiling Point
437.8±45.0 °C / 760 mmHg
Melting Point
8 °C
Solubility
soluble in Methanol
Refractive Index
1.56

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
CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
InChI Key
IBUUMDHMTARCSQ-UHFFFAOYSA-N
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