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Methyl 2,6-dichlorobenzoate

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Name

Methyl 2,6-dichlorobenzoate

EINECS N/A
CAS No. 14920-87-7 Density 1.355 g/cm3
PSA 26.30000 LogP 2.78000
Solubility N/A Melting Point 25-30 °C
Formula C8H6Cl2O2 Boiling Point 261.8 °C at 760 mmHg
Molecular Weight 205.04 Flash Point 111.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 14920-87-7 (METHYL 2,6-DICHLOROBENZOATE) Hazard Symbols IrritantXi
Synonyms

2,6-Dichlorobenzoic acid methyl ester;

Article Data 12

Methyl 2,6-dichlorobenzoate Specification

The Benzoic acid, 2, 6-dichloro-, methyl ester, with the CAS registry number 14920-87-7, is also known as 2, 6-Dichlorobenzoic acid methyl ester. This chemical's molecular formula is C8H6Cl2O2 and molecular weight is 205.04. What's more, its IUPAC name is Methyl 2, 6-dichlorobenzoate. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light and oxidant.

Physical properties about Benzoic acid, 2, 6-dichloro-, methyl ester are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.15; (6)ACD/BCF (pH 7.4): 76.15; (7)ACD/KOC (pH 5.5): 773.57; (8)ACD/KOC (pH 7.4): 773.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 47.81 cm3; (15)Molar Volume: 151.2 cm3; (16)Polarizability: 18.95×10-24 cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 49.95 kJ/mol; (21)Boiling Point: 261.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0113 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1c(Cl)cccc1Cl
(2) InChI: InChI=1/C8H6Cl2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
(3) InChIKey: HEYGSGDIWJDORA-UHFFFAOYAK

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