Phenol,2-[[(4-methylphenyl)imino]methyl]- supplier

Name
2-{[(4-methylphenyl)imino]methyl}phenol
EINECS
CAS No. 782-76-3
Article Data64
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃NO
Boiling Point 362.7 °C at 760 mmHg
Molecular Weight 211.263
Flash Point 145.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-[[(4-methylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one;Lumogen Yellow 554(562);N-Salicylidene-p-toluidine;2-{[(4-Methylphenyl)imino]methyl}phenol;
PSA 32.59000
LogP 3.45120

Phenol,2-[[(4-methylphenyl)imino]methyl]- Specification

The Phenol,2-[[(4-methylphenyl)imino]methyl]-, with the CAS registry number 782-76-3, is also known as 2-{[(4-Methylphenyl)imino]methyl}phenol. This chemical's molecular formula is C₁₄H₁₃NO and molecular weight is 211.26. What's more, its systematic name is 6-{[(4-methylphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one.

Physical properties of Phenol,2-[[(4-methylphenyl)imino]methyl]- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.719; (8)Molar Refractivity: 67.26 cm³; (9)Molar Volume: 170.3 cm³; (10)Surface Tension: 65.8 dyne/cm; (11)Density: 1.24 g/cm³; (12)Flash Point: 145.6 °C; (13)Enthalpy of Vaporization: 60.87 kJ/mol; (14)Boiling Point: 362.7 °C at 760 mmHg; (15)Vapour Pressure: 1.9E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-aniline, 2-hydroxy-benzaldehyde at the temperature of 35 °C. This reaction will need solvent ethanol. The yield is about 79%.

Uses of Phenol,2-[[(4-methylphenyl)imino]methyl]-: it can be used to produce (2,3,3a,9a-tetrahydro-4H-1,9-dioxa-cyclopenta[b]naphthalen-4-yl)-p-tolyl-amine at the temperature of 20 °C. It will need reagent LiBF₄ and solvent acetonitrile with the reaction time of 2.5 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2C(=CNc1ccc(cc1)C)\C=C/C=C/2
(2)InChI: InChI=1S/C14H13NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-10,15H,1H3
(3)InChIKey: CMYYJUWAYGQKHC-UHFFFAOYSA-N

Product Name

2-{[(4-methylphenyl)imino]methyl}phenol

Phenol,2-[[(4-methylphenyl)imino]methyl]- Specification

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