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4'-(Amyloxy)benzylidene-4-cyanoaniline

Catalog Number
ACM37075255
Product Name
4'-(Amyloxy)benzylidene-4-cyanoaniline
Structure
CAS
37075-25-5
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4'-(Pentyloxy)benzylidene-4-cyanoaniline
IUPAC Name
4-[(4-pentoxyphenyl)methylideneamino]benzonitrile
Molecular Weight
292.38
Molecular Formula
C19H20N2O
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H20N2O/c1-2-3-4-13-22-19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18/h5-12,15H,2-4,13H2,1H3
InChI Key
IUWUDHSOMQRZCV-UHFFFAOYSA-N
Boiling Point
462.9±30.0 ºC
Melting Point
59-94 ºC
Purity
97%+
Density
1.01±0.1 g/ml
Appearance
White to Amber powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
368
Covalently-Bonded Unit Count
1
Exact Mass
292.157563g/mol
Formal Charge
0
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
22
MDL Number
MFCD00059588
Monoisotopic Mass
292.157563g/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
7
Signal Word
Warning
XLogP3
4.7
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