4-(trans-4-Amylcyclohexyl)benzonitrile
Catalog Number
ACM61204011-1
CAS
61204-01-1
IUPAC Name
4-(4-pentylcyclohexyl)benzonitrile
Synonyms
1-(trans-4-Amylcyclohexyl)-4-cyanobenzene
4-(trans-4-Pentylcyclohexyl)benzonitrile
4-(trans-4-Pentylcyclohexyl)benzonitrile
Molecular Weight
255.41
Molecular Formula
C18H25N
Product Information
Canonical SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3
InChI Key
FURZYCFZFBYJBT-UHFFFAOYSA-N
Melting Point
30 °C
Flash Point
113 °C(235.4 °F)
Purity
>98.0%(GC)
Solubility
soluble in Methanol
Appearance
White to Almost white powder to lump
Complexity
284
Exact Mass
255.1987g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
19
MDL Number
MFCD00075548
Monoisotopic Mass
255.1987g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
1884501
Rotatable Bond Count
5
Signal Word
Warning
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