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4-(trans-4-propylcyclohexyl) benzonitrile

Catalog Number
61203-99-4
CAS
61203-99-4
IUPAC Name
4-(4-propylcyclohexyl)benzonitrile
Synonyms
4-(TRANS-4'-N-PROPYLCYCLOHEXYL)BENZONITRILE; TRANS-4-(4'-N-PROPYLCYCLOHEXYL)-BENZONITRILE; 4-(4-propylcyclohexyl)-,trans-Benzonitrile; PCH3; trans-4-(4-Propylcyclohexyl)benzonitrile; trans-4-(4-propyl-cyclohexyl)-benzonitrile; trans-4-Propyl(4-cyanophenyl)cycl
Molecular Weight
227.35
Molecular Formula
C16H21N
Chemical structural formula

Product Information

Purity
>98% by GC
MDL
MFCD04038799
Physical State
Solid
Appearance
White Powder
Storage
Sealed in dry. Room temperature.
Boiling Point
351.8±21.0 °C at 760 mmHg
Melting Point
45ºC
Density
1.0±0.1 g/cm3
Solubility
soluble in Methanol
Refractive Index
1.53

Safety Information

Signal Word
Danger
Precautionary Statement
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.
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Hazard Class
6.1
Packing Groups
III
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/t13-,15-
InChI Key
XXUSEPRYHRDKFV-CTYIDZIISA-N