Product Name

  • Name

    4-chloro-N-[(E)-thiophen-2-ylmethylidene]aniline

  • EINECS
  • CAS No. 13533-31-8
  • Article Data11
  • CAS DataBase
  • Density 1.22 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H8ClNS
  • Boiling Point 351.6 °C at 760 mmHg
  • Molecular Weight 221.71
  • Flash Point 166.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 13533-31-8 (4-chloro-N-[(E)-thiophen-2-ylmethylidene]aniline)
  • Hazard Symbols
  • Synonyms Aniline,p-chloro-N-2-thenylidene- (6CI,7CI,8CI);NSC 248864;N-(4-Chlorophenyl)-1-thiophen-2-ylmethanimine;
  • PSA
  • LogP

Benzenamine,4-chloro-N-(2-thienylmethylene)- 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

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