1198748-35-4

Basic information

• Product Name: (E)-2-[(3-chlorophenylimino)methyl]-4-methoxyphenol
• CAS NO: 1198748-35-4
• Molecular Weight: 261.708
• Mol File: 1198748-35-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-2-[(3-chlorophenylimino)methyl]-4-methoxyphenol(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-2-[(3-chlorophenylimino)methyl]-4-methoxyphenol(1198748-35-4)
• EPA Substance Registry System: (E)-2-[(3-chlorophenylimino)methyl]-4-methoxyphenol(1198748-35-4)

Safety Data

• Hazardous Substances Data: 1198748-35-4(Hazardous Substances Data)

Upstream product

• 672-13-9 2-hydroxy-5-methoxybenzaldehyde 
• 108-42-9 3-chloro-aniline 

Relevant articles and documents

Cristallographic and conformational analysis of [(E)-2-[(3- chlorophenylimino)methy]-4-methoxyphenol]

The crystal structure of C14H12CINO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) A, b = 4.5101(3) A, c = 12.0534(11) A, α = 90.00°, β = 113.669(6)°, γ = 90.00°, Z = 2, Dx = 1.393 mg/m3, μ (MoKα) = 0.298 mm-1. The title compound is photochromic and molecule is non-planar. It adopts a phenol-imine tautomeric form with a strong intramolecular C-H...N hydrogen bond and a strong intermolecular C-H...O hydrogen bond. Minimum energy conformations AMI were calculated as a function of the three torsion angles θ1(C10-C9-N1-C8), θ2(C9-N1-C8-C1) and θ3(N1-C8-C1-C6), varied every 10°. As in the X-ray experiment results, molecule has an angle that makes it non-planar between two aromatic rings in AM1 optimized geometry. Springer Science+Business Media, LLC 2008.