Product Name

  • Name

    Mefenpyr-diethyl

  • EINECS 201-006-8
  • CAS No. 135590-91-9
  • Article Data2
  • CAS DataBase
  • Density 1.345 g/cm3
  • Solubility
  • Melting Point 50-52°
  • Formula C16H18Cl2N2O4
  • Boiling Point 451.089 °C at 760 mmHg
  • Molecular Weight 373.236
  • Flash Point 226.611 °C
  • Transport Information UN 3077
  • Appearance
  • Safety 60-61
  • Risk Codes 51/53
  • Molecular Structure Molecular Structure of 135590-91-9 (Mefenpyr-diethyl)
  • Hazard Symbols DangerousN
  • Synonyms 1H-Pyrazole-3,5-dicarboxylicacid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, diethyl ester (9CI);AE-F107892;HOE 107892;Mefenpyr-diethyl;Diethyl-1-(2,4-dichlorphenyl)-5-methyl-4,5-dihydro-1H-pyrazol-3,5-dicarboxylat;
  • PSA 68.20000
  • LogP 2.94500

Mefenpyr-diethyl Specification

The Mefenpyr-diethyl with the cas number135590-91-9, is also called diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate. The properties of the chemical are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 160; (6)ACD/BCF (pH 7.4): 160; (7)ACD/KOC (pH 5.5): 1314; (8)ACD/KOC (pH 7.4): 1314; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 68.2 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 91.856 cm3; (15)Molar Volume: 277.574 cm3; (16)Polarizability: 36.415×10-24cm3; (17)Surface Tension: 44.297 dyne/cm; (18)Enthalpy of Vaporization: 71.007 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:(1)Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment; (2)This material and its container must be disposed of as hazardous waste; (3)Avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)c(cc1)N2/N=C(/C(=O)OCC)CC2(C(=O)OCC)C
(2)InChI: InChI=1/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3

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