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Benzoicacid, 2,6-dichloro-, ethyl ester

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Name

Benzoicacid, 2,6-dichloro-, ethyl ester

EINECS N/A
CAS No. 81055-73-4 Density 1.305 g/cm3
PSA 26.30000 LogP 3.17010
Solubility N/A Melting Point N/A
Formula C9H8Cl2O2 Boiling Point 278.2 °C at 760 mmHg
Molecular Weight 219.067 Flash Point 115 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 81055-73-4 (ETHYL 2,6-DICHLOROBENZOATE) Hazard Symbols IrritantXi
Synonyms

2,6-Dichlorobenzoicacid ethyl ester;Ethyl 2,6-dichlorobenzoate;

Article Data 6

Benzoicacid, 2,6-dichloro-, ethyl ester Specification

The Benzoicacid, 2,6-dichloro-, ethyl ester, with the CAS registry number 81055-73-4, is also known as 2,6-Dichlorobenzoic acid ehtyl ester. This chemical's molecular formula is C9H8Cl2O2 and molecular weight is 219.06. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2,6-dichlorobenzoate. It should be kept in a cold and dry place.

Physical properties about Benzoicacid, 2,6-dichloro-, ethyl ester are: (1) ACD/LogP: 3.31; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.31; (4) ACD/LogD (pH 7.4): 3.31; (5) ACD/BCF (pH 5.5): 192.96; (6) ACD/BCF (pH 7.4): 192.96; (7) ACD/KOC (pH 5.5): 1505.05; (8) ACD/KOC (pH 7.4): 1505.05; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.537; (14) Molar Refractivity: 52.44 cm3; (15) Molar Volume: 167.7 cm3; (16) Surface Tension: 40.6 dyne/cm; (17) Density: 1.305 g/cm3; (18)Flash Point: 115 °C; (19) Enthalpy of Vaporization: 51.68 kJ/mol; (20) Boiling Point: 278.2 °C at 760 mmHg; (21) Vapour Pressure: 0.00432 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(Cl)cccc1Cl
(2) InChI: InChI=1/C9H8Cl2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
(3) InChIKey: HAFAMHIZRCDTSS-UHFFFAOYAQ

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