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4-Cyano-4'-propoxy-1,1'-biphenyl

Catalog Number
ACM52709861-1
Product Name
4-Cyano-4'-propoxy-1,1'-biphenyl
Structure
CAS
52709-86-1
Category
Liquid Crystal (LC) Materials
Synonyms
4'-Propoxy-4-biphenylcarbonitrile
3OCB
IUPAC Name
4-(4-propoxyphenyl)benzonitrile
Molecular Weight
237.30
Molecular Formula
C16H15NO
Canonical SMILES
CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
InChI Key
RZCQJZFWJZHMPK-UHFFFAOYSA-N
Boiling Point
393.1 °C / 760 mmHg
Melting Point
73 °C
Purity
>98.0%(GC)
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
277
Covalently-Bonded Unit Count
1
EC Number
258-122-7
Exact Mass
237.115364g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
18
MDL Number
MFCD00183206
Monoisotopic Mass
237.115364g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.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.
Refractive Index
1.59
Rotatable Bond Count
4
Signal Word
Warning
Specific Gravity
1.02
XLogP3
4.1
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