4-Cyano-4'-n-octylbiphenyl
Catalog Number
ACM52709849-3
CAS
52709-84-9
IUPAC Name
4-(4-octylphenyl)benzonitrile
Synonyms
4'-n-Octyl-4-biphenylcarbonitrile
8CB
8CB
Molecular Weight
291.44
Molecular Formula
C21H25N
Product Information
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3
InChI Key
CSQPODPWWMOTIY-UHFFFAOYSA-N
Melting Point
30 °C
Flash Point
113 °C(235.4 °F)
Purity
>98.0%(GC)
Appearance
White to Almost white powder to lump
Storage
Room temperature.
Complexity
323
Exact Mass
291.1987g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
22
MDL Number
MFCD00075146
Monoisotopic Mass
291.1987g/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
1913854
Rotatable Bond Count
8
Signal Word
Warning
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