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4'-Hexyloxybenzylidene-4-cyanoaniline

Catalog Number
ACM35280785-1
CAS Number
35280-78-5
Product Name
4'-Hexyloxybenzylidene-4-cyanoaniline
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4-[(4-hexoxybenzylidene)amino]benzonitrile
IUPAC Name
4-[(4-hexoxyphenyl)methylideneamino]benzonitrile
Molecular Weight
306.41
Molecular Formula
C20H22N2O
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3
InChI Key
YABQOLANVLHEPV-UHFFFAOYSA-N
Boiling Point
474.2±30.0 ºC
Melting Point
120 °C
Purity
98%+
Density
1.00±0.1 g/ml
Appearance
White to Orange to Green powder to crystal
Complexity
382
Covalently-Bonded Unit Count
1
EC Number
252-486-0
Exact Mass
306.173213g/mol
Formal Charge
0
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
23
MDL Number
MFCD00059589
Monoisotopic Mass
306.173213g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.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.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Refractive Index
1.55
Rotatable Bond Count
8
Signal Word
Warning
XLogP3
5.2
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