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4-Cyano-4'-n-octyloxybiphenyl

Catalog Number
ACM52364735-2
Product Name
4-Cyano-4'-n-octyloxybiphenyl
Structure
CAS
52364-73-5
Category
Liquid Crystal (LC) Materials
Synonyms
4'-n-Octyloxy-4-biphenylcarbonitrile
8OCB
IUPAC Name
4-(4-octoxyphenyl)benzonitrile
Molecular Weight
307.44
Molecular Formula
C21H25NO
Canonical SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3
InChI Key
GPGGNNIMKOVSAG-UHFFFAOYSA-N
Melting Point
54 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
342
Covalently-Bonded Unit Count
1
EC Number
257-878-5
Exact Mass
307.193614g/mol
Formal Charge
0
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
23
MDL Number
MFCD00075145
Monoisotopic Mass
307.193614g/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/ 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 + 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.
Refractive Index
1.53
Rotatable Bond Count
9
Signal Word
Warning
Specific Gravity
1.02
XLogP3
6.7
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