CAS 874-90-8 Anisonitrile - Materials / Alfa Chemistry

NAVIGATION

Anisonitrile

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Catalog Number

ACM874908

CAS Number

874-90-8

Product Name

Anisonitrile

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Cyanoanisole

IUPAC Name

4-methoxybenzonitrile

Molecular Weight

133.15

Molecular Formula

C8H7NO

Canonical SMILES

COC1=CC=C(C=C1)C#N

InChI

InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

InChI Key

XDJAAZYHCCRJOK-UHFFFAOYSA-N

Boiling Point

137 °C/20 mmHg

Melting Point

60 °C

Purity

>98.0%(GC)

Appearance

White to Light yellow powder to crystal

Complexity

139

Covalently-Bonded Unit Count

EC Number

212-871-6

Exact Mass

133.052764g/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.

Heavy Atom Count

Log P

1.7 (LogP)

MDL Number

MFCD00001818

MeSH Entry Terms

4-methoxybenzonitrile;4-methoxybenzonitrile, 15N-labeled;4-methoxybenzonitrile, cyano-14C-labeled;p-methoxybenzonitrile;para-methoxybenzonitrile

Monoisotopic Mass

133.052764g/mol

NSC Number

71539;3777

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

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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