4-[(4-Methoxybenzylidene)amino]benzonitrile

Catalog Number

ACM13036196

Product Name

4-[(4-Methoxybenzylidene)amino]benzonitrile

Structure

CAS

13036-19-6

Category

Heterocyclic Organic Compound

Synonyms

4-(p-Anisalamino)benzonitrile

IUPAC Name

4-[(4-methoxyphenyl)methylideneamino]benzonitrile

Molecular Weight

236.27

Molecular Formula

C15H12N2O

Canonical SMILES

COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H12N2O/c1-18-15-8-4-13(5-9-15)11-17-14-6-2-12(10-16)3-7-14/h2-9,11H,1H3

InChI Key

SZTAFPBCQLNZQR-UHFFFAOYSA-N

Melting Point

120 °C

Solubility

soluble in Methanol

Appearance

White to Orange to Green powder to crystal

Complexity

315

Condition To Avoid

Heat Sensitive

Covalently-Bonded Unit Count

1

EC Number

235-900-4

Exact Mass

236.094963g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

3

H-Bond Donor

0

Heavy Atom Count

18

MDL Number

MFCD00037167

Monoisotopic Mass

236.094963g/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

3

Signal Word

Warning

XLogP3

2.9

MSDS

COA

Spec Sheet