CAS 40817-08-1 4-Cyano-4'-pentylbiphenyl - Materials / Alfa Chemistry

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4-Cyano-4'-pentylbiphenyl

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Catalog Number

ACM40817081-1

Product Name

4-Cyano-4'-pentylbiphenyl

Structure

CAS

40817-08-1

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4'-Amyl-4-biphenylcarbonitrile
4-Amyl-4'-cyanobiphenyl
4'-Pentyl-4-biphenylcarbonitrile
5CB

IUPAC Name

4-(4-pentylphenyl)benzonitrile

Molecular Weight

249.36

Molecular Formula

C18H19N

Canonical SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

InChI Key

HHPCNRKYVYWYAU-UHFFFAOYSA-N

Boiling Point

140-150 °C / 0.5 mmHg

Melting Point

48 °C

Flash Point

113 ℃

Purity

>98.0%(GC)

Density

1.008 g/mL at 25 ℃

Solubility

soluble in Acetone,Toluene,Chloroform

Appearance

White clear liquid to cloudy liquid

Storage

Sealed in dry. Room temperature.

Complexity

284

Covalently-Bonded Unit Count

EC Number

255-093-2

Exact Mass

249.15175g/mol

Formal Charge

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.

Heavy Atom Count

MDL Number

MFCD00036350

MeSH Entry Terms

4-cyano-4'-pentylbiphenyl;4-n-pentyl-4'-cyanobiphenyl

Monoisotopic Mass

249.15175g/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.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Refractive Index

1.53

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.03

XLogP3

5.4

MSDS

Download MSDS

COA