168915-06-8

Basic information

• Product Name: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, (E)- (9CI)
• Synonyms: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, (E)- (9CI);3-[(1E)-(phenylimino)methyl]benzene-1,2-diol
• CAS NO: 168915-06-8
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.23194
• Product Categories: ALCOHOL
• Mol File: 168915-06-8.mol

Chemical Properties

• Boiling Point: 399.6±32.0 °C(Predicted)
• Appearance: /
• Density: 1.15±0.1 g/cm3(Predicted)
• PKA: 8.16±0.35(Predicted)
• CAS DataBase Reference: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, (E)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, (E)- (9CI)(168915-06-8)
• EPA Substance Registry System: 1,2-Benzenediol, 3-[(phenylimino)methyl]-, (E)- (9CI)(168915-06-8)

Safety Data

• Hazardous Substances Data: 168915-06-8(Hazardous Substances Data)

Usage

Synonyms

1,2-Bis(3-iminophenyl)ethene, (E)-

Physical state

Crystalline solid

Uses

a. Manufacturing of dyes
b. Pharmaceutical production
c. Synthesis of other organic compounds

Functional group

Imine

Applications in organic synthesis

Useful in various organic synthesis reactions due to the presence of the imine functional group

Pharmacological properties

Studied for potential pharmacological properties

Drug development

Considered as a possible candidate for drug development

Safety precautions

Handle with care, as it can be hazardous if not used properly

Upstream product

• 148-53-8 3-methoxy-2-hydroxybenzaldehyde 
• 24677-78-9 2,3-dihydroxybenzaldehyde 
• 62-53-3 aniline 

Downstream Products

• 141302-69-4 {MoO₂(C₆H₃(OH)(O)CHNC₆H₅)2} 
• 141302-65-0 {RuBr₂(As(C₆H₅)3)2(C₆H₃(OH)(O)CHNC₆H₅)} 

Relevant articles and documents

Une Serie de N-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomeres

The crystal structures of five N-(2,3-dihydroxybenzylidene)amine derivatives, C7H6NO2-R are presented and discussed. All the molecules are characterized by the presence of a strong intramolecular hydrogen bond, O-H...N, which determines the formation of a six-membered pseudocycle in the same plane as the phenolic moiety.When R is an aromatic ring, the molecules are either planar or make a dihedral angle which does not exceed 10o.Except for (2), all the molecules are associated as dimers with two intermolecular O-H...O hydrogen bonds involved in a ten-membered pseudocycle.In compound (5), an intermolecular hydrogen bond wiht a third molecule is also observed.In (2), the cohesion of the crystal is mainly secured by the intermolecular hydrogen bond between the hydroxyl group and the aromatic p-methylphenyl ring.Unlike the N-(2-hydroxybenzylidene)amines for which the phenolic tautomer largely prevails, in the present compounds the quinonic form is present in significant amounts and is even dominant for compound (4).Hence the presence of a second vicinal hydroxyl group determines an important shift in the tautomeric equilibrium.