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