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| CAS No.: | 14920-87-7 |
|---|---|
| Name: | METHYL 2,6-DICHLOROBENZOATE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H6Cl2O2 |
| Molecular Weight: | 205.04 |
| Synonyms: | 2,6-Dichlorobenzoic acid methyl ester; |
| Density: | 1.355 g/cm3 |
| Melting Point: | 25-30 °C |
| Boiling Point: | 261.8 °C at 760 mmHg |
| Flash Point: | 111.2 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 22-24/25 |
| PSA: | 26.30000 |
| LogP: | 2.78000 |
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- Total:14 Page 1 of 1 1
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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