CAS 41122-70-7 4-Cyano-4'-hexylbiphenyl - Materials / Alfa Chemistry

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4-Cyano-4'-hexylbiphenyl

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Catalog Number

ACM41122707-1

Product Name

4-Cyano-4'-hexylbiphenyl

Structure

CAS

41122-70-7

Category

Liquid Crystal (LC) Materials

Synonyms

4'-Hexyl-4-biphenylcarbonitrile
6CB

Description

Milky-white thick liquid. (NTP, 1992)

IUPAC Name

4-(4-hexylphenyl)benzonitrile

Molecular Weight

263.38

Molecular Formula

C19H21N

Canonical SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3

InChI Key

VADSDVGLFDVIMG-UHFFFAOYSA-N

Melting Point

14 °C

Flash Point

113 °C(235.4 °F)

Purity

>98.0%(GC)

Solubility

less than 1 mg/mL at 68° F (NTP, 1992)

Appearance

Colorless to Light orange to Yellow clear liquid to cloudy liquid

Complexity

297

Covalently-Bonded Unit Count

EC Number

255-228-5

Exact Mass

263.1674g/mol

Formal Charge

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H410 : Very toxic to aquatic life with long lasting effects.

Heavy Atom Count

MDL Number

MFCD00075144

Monoisotopic Mass

263.1674g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P273 : Avoid release to the environment.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.P391 : Collect spillage.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 + 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

1.02

XLogP3

6.2

MSDS

Download MSDS

COA