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4-Cyano-4'-heptylbiphenyl

Catalog Number
ACM41122718-1
Product Name
4-Cyano-4'-heptylbiphenyl
Structure
CAS
41122-71-8
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4'-Heptyl-4-biphenylcarbonitrile
7CB
IUPAC Name
4-(4-heptylphenyl)benzonitrile
Molecular Weight
277.41
Molecular Formula
C20H23N
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
InChI Key
ZGOWXOZNUNZPAV-UHFFFAOYSA-N
Melting Point
36 °C
Flash Point
113 ℃
Purity
>95.0%(GC)
Appearance
White or Colorless to Almost white or Almost colorless powder to lump to clear liquid
Complexity
310
Covalently-Bonded Unit Count
1
EC Number
255-229-0
Exact Mass
277.18305g/mol
Formal Charge
0
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.
Heavy Atom Count
21
MDL Number
MFCD00074915
MeSH Entry Terms
4-heptyl-4'-cyanobiphenyl;K21 cpd
Monoisotopic Mass
277.18305g/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.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Rotatable Bond Count
7
Signal Word
Warning
XLogP3
6.8
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