4-[(4-Methoxybenzylidene)amino]benzonitrile

• CAS: 13036-19-6
• Catalog Number: ACM13036196
• Category: Other Products
• Molecular Weight: 236.27
• Molecular Formula: C15H12N2O
• Synonyms: 4-(p-Anisalamino)benzonitrile
• IUPAC Name: 4-[(4-methoxyphenyl)methylideneamino]benzonitrile
• 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