3-Chloro-5-chlorosulfonyl-benzoic acid supplier

Name
3-Chloro-5-chlorosulfonyl-benzoic acid
EINECS
CAS No. 53553-11-0
Density 1.694 g/cm³
Solubility
Melting Point
Formula C₇H₄Cl₂O₄S
Boiling Point 431.6 °C at 760 mmHg
Molecular Weight 255.0753
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-5-(chlorosulfonyl)benzoic acid;
PSA 79.82000
LogP 3.04650

3-Chloro-5-chlorosulfonyl-benzoic acid Specification

The 3-Chloro-5-chlorosulfonyl-benzoic acid, with the CAS registry number 53553-11-0, is also known as 3-Chloro-5-(chlorosulfonyl)benzoic acid. This chemical's molecular formula is C₇H₄Cl₂O₄S and molecular weight is 255.0753. What's more, its IUPAC name is 3-Chloro-5-chlorosulfonylbenzoic acid.

Physical properties about 3-Chloro-5-chlorosulfonyl-benzoic acid are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.65; (8)ACD/KOC (pH 7.4): 1.28; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.5 cm³; (15)Molar Volume: 150.5 cm³; (16)Polarizability: 20.41×10^-24 cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.694 g/cm³; (19)Flash Point: 214.8 °C; (20)Enthalpy of Vaporization: 72.44 kJ/mol; (21)Boiling Point: 431.6 °C at 760 mmHg; (22)Vapour Pressure: 3.25E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1cc(cc(Cl)c1)C(=O)O
(2) InChI: InChI=1/C7H4Cl2O4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)
(3) InChIKey: YPDVPJMKLXYCOA-UHFFFAOYAG

Product Name

3-Chloro-5-chlorosulfonyl-benzoic acid

3-Chloro-5-chlorosulfonyl-benzoic acid Specification

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