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3740-18-9

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Basic Information
CAS No.: 3740-18-9
Name: 2,4-Dichloro-5-(chlorosulphonyl)benzoic acid
Article Data: 14
Molecular Structure:
Molecular Structure of 3740-18-9 (2,4-Dichloro-5-(chlorosulphonyl)benzoic acid)
Formula: C7H3Cl3O4S
Molecular Weight: 289.523
Synonyms: 2,4-dichloro-5-chlorosulfonyl-benzoic acid;
EINECS: 223-127-5
Density: 1.781 g/cm3
Boiling Point: 430.5 °C at 760 mmHg
Flash Point: 214.2 °C
PSA: 79.82000
LogP: 3.69990
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Specification

The 2,4-Dichloro-5-(chlorosulphonyl)benzoic acid, with the CAS registry number 3740-18-9, is also known as Benzoic acid, 2,4-dichloro-5-(chlorosulfonyl)-. Its EINECS registry number is 223-127-5. This chemical's molecular formula is C7H3Cl3O4S and molecular weight is 289.52032. Its IUPAC name is called 2,4-dichloro-5-chlorosulfonylbenzoic acid.

Physical properties of 2,4-Dichloro-5-(chlorosulphonyl)benzoic acid: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): -0.11; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 56.33 cm3; (13)Molar Volume: 162.5 cm3; (14)Surface Tension: 62.4 dyne/cm; (15)Density: 1.781 g/cm3; (16)Flash Point: 214.2 °C; (17)Enthalpy of Vaporization: 72.31 kJ/mol; (18)Boiling Point: 430.5 °C at 760 mmHg; (19)Vapour Pressure: 3.55E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)Cl)C(=O)O
(2)InChI: InChI=1S/C7H3Cl3O4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
(3)InChIKey: MPUNAIYDVXJQBJ-UHFFFAOYSA-N