ETHYL 2,6-DICHLOROBENZOATE

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