Product Name

  • Name

    Methyl 3,4-dichlorophenylacetate

  • EINECS
  • CAS No. 6725-44-6
  • Article Data24
  • CAS DataBase
  • Density 1.318 g/cm3
  • Solubility
  • Melting Point 25-27 °C
  • Formula C9H8Cl2O2
  • Boiling Point 274.5 °C at 760 mmHg
  • Molecular Weight 219.067
  • Flash Point 112.8 °C
  • Transport Information
  • Appearance clear colorless liquid
  • Safety 24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 6725-44-6 (Methyl 3,4-dichlorophenylacetate)
  • Hazard Symbols IrritantXi
  • Synonyms Aceticacid, (3,4-dichlorophenyl)-, methyl ester (7CI,8CI);3,4-Dichlorophenylaceticacid methyl ester;Methyl (3,4-dichlorophenyl)acetate;Methyl2-(3,4-dichlorophenyl)acetate;
  • PSA 26.30000
  • LogP 2.70890

Methyl 3,4-dichlorophenylacetate Specification

The CAS register number of Methyl 3,4-dichlorophenylacetate is 6725-44-6. It also can be called as 3,4-Dichlorophenylacetic acid methyl ester and the IUPAC name about this chemical is methyl 2-(3,4-dichlorophenyl)acetate. The molecular formula about this chemical is C9H8Cl2O2 and molecular weight is 219.06. It belongs to the Aromatic Esters. This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes.

Physical properties about Methyl 3,4-dichlorophenylacetate are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.44; (5)ACD/BCF (pH 7.4): 118.44; (6)ACD/KOC (pH 5.5): 1061.27; (7)ACD/KOC (pH 7.4): 1061.27; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 51.99 cm3; (13)Molar Volume: 166.1 cm3; (14)Polarizability: 20.61x10-24cm3; (15)Surface Tension: 40.8 dyne/cm; (16)Enthalpy of Vaporization: 51.29 kJ/mol; (17)Boiling Point: 274.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00539 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)CC(=O)OC
(2)InChI: InChI=1/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
(3)InChIKey: FWVOAIHAIWHHDM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
(5)Std. InChIKey: FWVOAIHAIWHHDM-UHFFFAOYSA-N

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