CAS 61204-00-0 4-(trans-4-Butylcyclohexyl)benzonitrile

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4-(trans-4-Butylcyclohexyl)benzonitrile

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Catalog Number

ACM61204000-2

CAS Number

61204-00-0

Product Name

4-(trans-4-Butylcyclohexyl)benzonitrile

Structure

Category

Liquid Crystal (LC) Materials

Synonyms

4-(trans-4-Butylcyclohexyl)-1-cyanobenzene

IUPAC Name

4-(4-butylcyclohexyl)benzonitrile

Molecular Weight

241.38

Molecular Formula

C17H23N

Canonical SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3

InChI Key

YYAVXASAKUOZJJ-UHFFFAOYSA-N

Melting Point

43 °C

Purity

>98.0%(GC)

Solubility

soluble in Methanol

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Complexity

271

Covalently-Bonded Unit Count

EC Number

262-655-0

Exact Mass

241.18305g/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

MDL Number

MFCD00799425

Monoisotopic Mass

241.18305g/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/ 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

6.1

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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