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13533-31-8

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Basic Information
CAS No.: 13533-31-8
Name: 4-chloro-N-[(E)-thiophen-2-ylmethylidene]aniline
Article Data: 11
Molecular Structure:
Molecular Structure of 13533-31-8 (4-chloro-N-[(E)-thiophen-2-ylmethylidene]aniline)
Formula: C11H8ClNS
Molecular Weight: 221.71
Synonyms: Aniline,p-chloro-N-2-thenylidene- (6CI,7CI,8CI);NSC 248864;N-(4-Chlorophenyl)-1-thiophen-2-ylmethanimine;
Density: 1.22 g/cm3
Boiling Point: 351.6 °C at 760 mmHg
Flash Point: 166.5 °C
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Specification

The Benzenamine,4-chloro-N-(2-thienylmethylene)-, with the CAS registry number 13533-31-8, is also known as Aniline,p-chloro-N-2-thenylidene- (6CI,7CI,8CI). This chemical's molecular formula is C11H8ClNS and molecular weight is 221.71. What's more, its IUPAC name is N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine.

Physical properties of Benzenamine,4-chloro-N-(2-thienylmethylene)- are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.6 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 63.6 cm3; (9)Molar Volume: 181.1 cm3; (10)Polarizability: 25.21×10-24cm3; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 166.5 °C; (14)Enthalpy of Vaporization: 57.28 kJ/mol; (15)Boiling Point: 351.6 °C at 760 mmHg; (16)Vapour Pressure: 8.23E-05 mmHg at 25°C.

Uses of Benzenamine,4-chloro-N-(2-thienylmethylene)-: it can be used to produce 1-(4-Chlorophenyl)-3,3-diphenyl-4-(2-thienyl)-2-azetidinone. It will need solvent benzene with the reaction time of 6 hours. The yield is about 86%.

Benzenamine,4-chloro-N-(2-thienylmethylene)- can be used to produce 1-(4-Chlorophenyl)-3,3-diphenyl-4-(2-thienyl)-2-azetidinone

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C=NC2=CC=C(C=C2)Cl
(2)InChI: InChI=1S/C11H8ClNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H
(3)InChIKey: SEJGFKXSPGDMJQ-UHFFFAOYSA-N