2,4-Dichloro-5-(chlorosulphonyl)benzoic acid supplier

Name
2,4-Dichloro-5-(chlorosulphonyl)benzoic acid
EINECS 223-127-5
CAS No. 3740-18-9
Article Data14
CAS DataBase
Density 1.781 g/cm³
Solubility
Melting Point
Formula C₇H₃Cl₃O₄S
Boiling Point 430.5 °C at 760 mmHg
Molecular Weight 289.523
Flash Point 214.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-dichloro-5-chlorosulfonyl-benzoic acid;
PSA 79.82000
LogP 3.69990

2,4-Dichloro-5-(chlorosulphonyl)benzoic acid 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

Product Name

2,4-Dichloro-5-(chlorosulphonyl)benzoic acid

2,4-Dichloro-5-(chlorosulphonyl)benzoic acid Specification

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