Benzenamine,4-chloro-N-(phenylmethylene)- supplier

Name
N-benzylidene-4-chloroaniline
EINECS
CAS No. 780-21-2
Article Data198
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀ClN
Boiling Point 342.7 °C at 760 mmHg
Molecular Weight 215.682
Flash Point 161.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,N-benzylidene-p-chloro- (6CI,7CI,8CI);(Benzylidene)(4-chlorophenyl)amine;4-Chloro-N-(benzylidene)aniline;4-Chloro-N-(phenylmethylene)benzenamine;Benzal-p-chloroaniline;Benzaldehyde p-chloroanil;Benzylidene-4-chloroaniline;N-Benzylidene-4-chloroaniline;N-Benzylidene-p-chloroaniline;NSC 95597;
PSA 12.36000
LogP 4.09060

Benzenamine,4-chloro-N-(phenylmethylene)- Specification

The Benzenamine,4-chloro-N-(phenylmethylene)-, with the CAS registry number 780-21-2, is also known as N-Benzylidene-4-chloroaniline. This chemical's molecular formula is C₁₃H₁₀ClN and molecular weight is 215.68. What's more, its systematic name is 4-Chloro-N-(phenylmethylene)benzeneamine.

Physical properties of Benzenamine,4-chloro-N-(phenylmethylene)- are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 407.25; (6)ACD/BCF (pH 7.4): 407.92; (7)ACD/KOC (pH 5.5): 2567.67; (8)ACD/KOC (pH 7.4): 2571.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 65.01 cm³; (15)Molar Volume: 198.8 cm³; (16)Polarizability: 25.77×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 161.1 °C; (20)Enthalpy of Vaporization: 56.33 kJ/mol; (21)Boiling Point: 342.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000146 mmHg at 25°C.

Preparation of Benzenamine,4-chloro-N-(phenylmethylene)-: this chemical can be prepared by N-Benzyliden-p-chloranilin-N-oxid by heating. This reaction will need reagent AlI₃ and solvent acetonitrile with the reaction time of 3 hours. The yield is about 89%.

Benzenamine,4-chloro-N-(phenylmethylene)- can be prepared by N-Benzyliden-p-chloranilin-N-oxid by heating

Uses of Benzenamine,4-chloro-N-(phenylmethylene)-: it can be used to produce 6-chloro-2,4-diphenyl-quinoline by heating. It will need reagent 2,3-dichloro-5,6-dicyano-p-benzoquinone and solvent acetonitrile with the reaction time of hours. The yield is about 50%.

Benzenamine,4-chloro-N-(phenylmethylene)- can be used to produce 6-chloro-2,4-diphenyl-quinoline by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(/N=C/c1ccccc1)cc2
(2)InChI: InChI=1S/C13H10ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H/b15-10+
(3)InChIKey: NWCAQYVAHZWHIO-XNTDXEJSSA-N

Product Name

N-benzylidene-4-chloroaniline

Benzenamine,4-chloro-N-(phenylmethylene)- Specification

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