CAS 52709-86-1 4-Cyano-4'-propoxy-1,1'-biphenyl

NAVIGATION

4-Cyano-4'-propoxy-1,1'-biphenyl

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Catalog Number

ACM52709861-1

CAS Number

52709-86-1

Product Name

4-Cyano-4'-propoxy-1,1'-biphenyl

Structure

Category

Liquid Crystal (LC) Materials

Synonyms

4'-Propoxy-4-biphenylcarbonitrile
3OCB

IUPAC Name

4-(4-propoxyphenyl)benzonitrile

Molecular Weight

237.30

Molecular Formula

C16H15NO

Canonical SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3

InChI Key

RZCQJZFWJZHMPK-UHFFFAOYSA-N

Boiling Point

393.1 °C / 760 mmHg

Melting Point

73 °C

Purity

>98.0%(GC)

Solubility

soluble in Toluene

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Complexity

277

Covalently-Bonded Unit Count

EC Number

258-122-7

Exact Mass

237.115364g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.H413 : May cause long lasting harmful effects to aquatic life.

Heavy Atom Count

MDL Number

MFCD00183206

Monoisotopic Mass

237.115364g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.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.

Refractive Index

1.59

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.02

XLogP3

4.1

MSDS

Download MSDS

COA