4-Cyanophenyl 4-(3-Butenyloxy)benzoate
Catalog Number
ACM114482574-1
CAS
114482-57-4
IUPAC Name
(4-cyanophenyl) 4-but-3-enoxybenzoate
Synonyms
4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester
Molecular Weight
293.32
Molecular Formula
C18H15NO3
Product Information
Canonical SMILES
C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Inchi
InChI=1S/C18H15NO3/c1-2-3-12-21-16-10-6-15(7-11-16)18(20)22-17-8-4-14(13-19)5-9-17/h2,4-11H,1,3,12H2
InChIKey
XGRKLNHEYFRXFW-UHFFFAOYSA-N
Melting Point
82-86 ℃
Purity
97%+
Appearance
White to Light yellow powder to crystal
storage
Sealed in dry. Room temperature.
Complexity
409
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
22
MDL Number
MFCD00191384
Precautionary Statements
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.
Reaxys Registry Number
6522887
Rotatable Bond Count
7
Signal Word
Warning
Monoisotopic Mass
293.105193g/mol
Exact Mass
293.105193g/mol
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