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4'-Cyanobenzylidene-4-butoxyaniline

Catalog Number
ACM55873217-1
Product Name
4'-Cyanobenzylidene-4-butoxyaniline
Structure
CAS
55873-21-7
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-(4-Butoxyphenyliminomethyl)benzonitrile
IUPAC Name
4-[(4-butoxyphenyl)iminomethyl]benzonitrile
Molecular Weight
278.36
Molecular Formula
C18H18N2O
Canonical SMILES
CCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-8-17(9-11-18)20-14-16-6-4-15(13-19)5-7-16/h4-11,14H,2-3,12H2,1H3
InChI Key
NFABQUNUXAXGBJ-UHFFFAOYSA-N
Melting Point
120 °C
Purity
98%+
Appearance
White to Yellow to Green powder to crystaline
Complexity
355
Covalently-Bonded Unit Count
1
Exact Mass
278.141913g/mol
Formal Charge
0
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
21
MDL Number
MFCD00059908
Monoisotopic Mass
278.141913g/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.
Rotatable Bond Count
6
Signal Word
Warning
XLogP3
4.2
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