4-Ethoxybenzonitrile

CAS

25117-74-2

Catalog Number

ACM25117742

Category

Other Products

Molecular Weight

147.18

Molecular Formula

C9H9NO

MSDS COA Spec Sheet

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Specification

IUPAC Name

4-ethoxybenzonitrile

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

Appearance

White to Light yellow powder to crystal

Complexity

150

Covalently-Bonded Unit Count

Exact Mass

147.068414g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

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

Signal Word

Danger

XLogP3

1.9