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4-Butoxy-4'-cyanobiphenyl

Catalog Number
ACM52709872-2
Product Name
4-Butoxy-4'-cyanobiphenyl
Structure
CAS
52709-87-2
Category
Liquid Crystal (LC) Materials
Synonyms
4'-Butyloxy-4-biphenylcarbonitrile
4OCB
IUPAC Name
4-(4-butoxyphenyl)benzonitrile
Molecular Weight
251.33
Molecular Formula
C17H17NO
Canonical SMILES
CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChI Key
KPQVQWUNELODQE-UHFFFAOYSA-N
Melting Point
77 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
290
Covalently-Bonded Unit Count
1
EC Number
258-123-2
Exact Mass
251.131014g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
19
MDL Number
MFCD00183755
Monoisotopic Mass
251.131014g/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.
Rotatable Bond Count
5
Signal Word
Warning
XLogP3
4.5
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