CAS 61203-99-4 4-(trans-4-Propylcyclohexyl)benzonitrile

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4-(trans-4-Propylcyclohexyl)benzonitrile

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Catalog Number

ACM61203994-1

CAS Number

61203-99-4

Product Name

4-(trans-4-Propylcyclohexyl)benzonitrile

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Synonyms

1-Cyano-4-(trans-4-propylcyclohexyl)benzene

IUPAC Name

4-(4-propylcyclohexyl)benzonitrile

Molecular Weight

227.35

Molecular Formula

C16H21N

Canonical SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3

InChI Key

XXUSEPRYHRDKFV-UHFFFAOYSA-N

Melting Point

45 °C

Purity

>98.0%(GC)

Solubility

soluble in Methanol

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Complexity

259

Covalently-Bonded Unit Count

EC Number

262-654-5

Exact Mass

227.1674g/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

MFCD04038799

Monoisotopic Mass

227.1674g/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.

Refractive Index

1.53

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.02

XLogP3

5.5

MSDS

Download MSDS

COA