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2-sulfobenzoic acid;hydrate

Catalog No: FT-0723348

CAS No: 123333-68-6

Chemical Name: 2-sulfobenzoic acid;hydrate
Molecular Formula: C7H8O6S
Molecular Weight: 220.2 g/mol
InChI Key: HVJWSZOEEIYKSS-UHFFFAOYSA-N
InChI: InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	568.6ºC at 760mmHg
CAS:	123333-68-6
MF:	C7H8O6S
Density:	N/A
Melting_Point:	78-80ºC
Product_Name:	2-sulfobenzoic acid hydrate
Flash_Point:	297.7ºC
FW:	220.20000

MF:	C7H8O6S
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :289 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）78-80 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	220.00400
Vapor_Pressure:	9.14E-14mmHg at 25°C
Flash_Point:	297.7ºC
PSA:	109.28000
Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 220004158 Da ', '8. Nominal mass 220 Da ', '9. Average mass 2201998 Da']
LogP:	1.64800
Bolling_Point:	568.6ºC at 760mmHg
FW:	220.20000
Melting_Point:	78-80ºC