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CAS No.: | 56882-52-1 |
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Name: | Ethyl 2,4-dichlorobenzoate |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C9H8Cl2O2 |
Molecular Weight: | 219.067 |
Synonyms: | ETHYL-2,4-DICHLOROBENZOATE;Benzoic acid, 2,4-dichloro-, ethyl ester; |
Density: | 1.305 g/cm3 |
Boiling Point: | 272.8 °C at 760 mmHg |
Flash Point: | 111.8 °C |
PSA: | 26.30000 |
LogP: | 3.17010 |
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The Ethyl 2,4-dichlorobenzoate, with CAS registry number 56882-52-1, has the systematic name of ethyl 2,4-dichlorobenzoate. Besides this, it is also called benzoic acid, 2,4-dichloro-, ethyl ester. And the chemical formula of this chemical is C9H8Cl2O2.
Physical properties of Ethyl 2,4-dichlorobenzoate: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 314.97; (6)ACD/BCF (pH 7.4): 314.97; (7)ACD/KOC (pH 5.5): 2137.33; (8)ACD/KOC (pH 7.4): 2137.33; (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)Polarizability: 20.79×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.305 g/cm3; (19)Flash Point: 111.8 °C; (20)Enthalpy of Vaporization: 51.11 kJ/mol; (21)Boiling Point: 272.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00595 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(Cl)cc1Cl
(2)InChI: InChI=1/C9H8Cl2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
(3)InChIKey: ZBBGAUHWTZKKQQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H8Cl2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
(5)Std. InChIKey: ZBBGAUHWTZKKQQ-UHFFFAOYSA-N