NAVIGATION


4-Ethoxybenzonitrile

Catalog Number
ACM25117742
CAS Number
25117-74-2
Product Name
4-Ethoxybenzonitrile
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-ethoxybenzonitrile
Molecular Weight
147.18
Molecular Formula
C9H9NO
Canonical SMILES
CCOC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3
InChI Key
PJRLUGQMEZZDIY-UHFFFAOYSA-N
Boiling Point
258.0 °C
Melting Point
62 °C
Purity
>98.0%(GC)
Appearance
White to Light yellow powder to crystal
Complexity
150
Covalently-Bonded Unit Count
1
Exact Mass
147.068414g/mol
Formal Charge
0
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
11
MDL Number
MFCD00001819
Monoisotopic Mass
147.068414g/mol
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 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Rotatable Bond Count
2
Signal Word
Danger
XLogP3
1.9
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