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| CAS No.: | 63914-81-8 |
|---|---|
| Name: | 2-(Chlorosulfonyl)benzoic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H5ClO4S |
| Molecular Weight: | 220.633 |
| Synonyms: | 2-Carboxybenzenesulfonylchloride;2-Chlorosulfonylbenzoic acid; |
| Density: | 1.591 g/cm3 |
| Boiling Point: | 384 °C at 760 mmHg |
| Flash Point: | 186.1 °C |
| PSA: | 79.82000 |
| LogP: | 2.39310 |
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Specification
The 2-(Chlorosulfonyl)benzoic acid, with the CAS registry number 63914-81-8, is also known as Benzoic acid,2-(chlorosulfonyl)-. This chemical's molecular formula is C7H5ClO4S and molecular weight is 220.63. What's more, its systematic name is also called 2-(Chlorosulfonyl)benzoic acid.
Physical properties about 2-(Chlorosulfonyl)benzoic acid are: (1) ACD/LogP: 1.66; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 2; (10) Polar Surface Area: 79.82 Å2; (11) Index of Refraction: 1.588; (12) Molar Refractivity: 46.67 cm3; (13) Molar Volume: 138.6 cm3; (14) Surface Tension: 58 dyne/cm; (15) Density: 1.591 g/cm3; (16) Flash Point: 186.1 °C; (17) Enthalpy of Vaporization: 66.73 kJ/mol; (18) Boiling Point: 384 °C at 760 mmHg; (19) Vapour Pressure: 1.39E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1ccccc1C(O)=O
(2) InChI: InChI=1/C7H5ClO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
(3) InChIKey: ZRWICZHXYMHBDP-UHFFFAOYAM