Product Name

  • Name

    5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester

  • EINECS
  • CAS No. 866838-00-8
  • Density 1.374 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H12ClN3O2
  • Boiling Point 443.272 °C at 760 mmHg
  • Molecular Weight 265.699
  • Flash Point 221.883 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 866838-00-8 (5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester)
  • Hazard Symbols
  • Synonyms ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylate;5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylicacidethylester;QC-4450;
  • PSA 70.14000
  • LogP 2.86580

5-Amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester Specification

The 5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester is an organic compound with the formula C12H12ClN3O2. With the CAS registry number 866838-00-8, the systematic name of this chemical is ethyl 5-amino-1-(2-chlorophenyl)pyrazole-3-carboxylate.

Physical properties about 5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.23 ; (2)ACD/LogD (pH 5.5): 2.233; (3)ACD/LogD (pH 7.4): 2.233; (4)ACD/BCF (pH 5.5): 29.331; (5)ACD/BCF (pH 7.4): 29.332; (6)ACD/KOC (pH 5.5): 390.779; (7)ACD/KOC (pH 7.4): 390.783; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 70.14 Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 68.33 cm3; (14)Molar Volume: 193.309 cm3; (15)Polarizability: 27.088×10-24cm3; (16)Surface Tension: 50.487 dyne/cm; (17)Density: 1.374 g/cm3; (18)Flash Point: 221.883 °C; (19)Enthalpy of Vaporization: 70.089 kJ/mol; (20)Boiling Point: 443.272 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc(n(n1)c2ccccc2Cl)N
(2)InChI: InChI=1/C12H12ClN3O2/c1-2-18-12(17)9-7-11(14)16(15-9)10-6-4-3-5-8(10)13/h3-7H,2,14H2,1H3
(3)InChIKey: FBOILMBKKUPOPT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H12ClN3O2/c1-2-18-12(17)9-7-11(14)16(15-9)10-6-4-3-5-8(10)13/h3-7H,2,14H2,1H3
(5)Std. InChIKey: FBOILMBKKUPOPT-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View