CAS 52709-87-2 4-Butoxy-4'-cyanobiphenyl - Materials / Alfa Chemistry

NAVIGATION

4-Butoxy-4'-cyanobiphenyl

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Catalog Number

ACM52709872-2

CAS Number

52709-87-2

Product Name

4-Butoxy-4'-cyanobiphenyl

Structure

Category

Liquid Crystal (LC) Materials

Synonyms

4'-Butyloxy-4-biphenylcarbonitrile
4OCB

IUPAC Name

4-(4-butoxyphenyl)benzonitrile

Molecular Weight

251.33

Molecular Formula

C17H17NO

Canonical SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3

InChI Key

KPQVQWUNELODQE-UHFFFAOYSA-N

Melting Point

77 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Complexity

290

Covalently-Bonded Unit Count

EC Number

258-123-2

Exact Mass

251.131014g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00183755

Monoisotopic Mass

251.131014g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

4.5

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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