Product Name

  • Name

    Ethyl 5-chloro-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate

  • EINECS
  • CAS No. 104909-40-2
  • Article Data1
  • CAS DataBase
  • Density 1.45 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9ClN4O2
  • Boiling Point 444.8 °C at 760 mmHg
  • Molecular Weight 252.65706
  • Flash Point 222.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104909-40-2 (Ethyl 5-chloro-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate)
  • Hazard Symbols
  • Synonyms ethyl 5-chloro-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate;5-Chloro-1-(2-pyrimidinyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  • PSA
  • LogP

5-Chloro-1-(2-pyrimidinyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

This chemical is called Ethyl 5-chloro-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate, and it's also named as 5-Chloro-1-(2-pyrimidinyl)-1H-pyrazole-4-carboxylic acid ethyl ester. With the molecular formula of C10H9ClN4O2, its molecular weight is 252.65706. The CAS registry number of this chemical is 104909-40-2.

Other characteristics of the Ethyl 5-chloro-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.13; (8)ACD/KOC (pH 7.4): 27.13; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.9 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 63.3 cm3; (15)Molar Volume: 173.7 cm3; (16)Polarizability: 25.09×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 222.8 °C; (20)Enthalpy of Vaporization: 70.27 kJ/mol; (21)Boiling Point: 444.8 °C at 760 mmHg; (22)Vapour Pressure: 4.16E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)c2cnn(c1ncccn1)c2Cl
2.InChI: InChI=1/C10H9ClN4O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2H2,1H3
3.InChIKey: UKKSJVLNBFGXMA-UHFFFAOYAU

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