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4-Cyano-4'-pentyloxybiphenyl

Catalog Number
ACM52364713-1
CAS Number
52364-71-3
Product Name
4-Cyano-4'-pentyloxybiphenyl
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4'-Amyloxy-4-biphenylcarbonitrile
4-Amyloxy-4'-cyanobiphenyl
4'-Pentyloxy-4-biphenylcarbonitrile
5OCB
IUPAC Name
4-(4-pentoxyphenyl)benzonitrile
Molecular Weight
265.36
Molecular Formula
C18H19NO
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
InChI Key
RDISTOCQRJJICR-UHFFFAOYSA-N
Melting Point
52 °C
Flash Point
113 °C(235.4 °F)
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystaline
Application
5-OCB may be used in indicators and storage devices.
Complexity
303
Covalently-Bonded Unit Count
1
EC Number
257-875-9
Exact Mass
265.146664g/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
20
MDL Number
MFCD00074879
MeSH Entry Terms
galanin (1-12)-Pro-substance P (5-11);galantide;M 15;M-15;M15
Monoisotopic Mass
265.146664g/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
6
Signal Word
Warning
Specific Gravity
1.03
XLogP3
5
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