Methyl benzenesulfonate

Catalog No: FT-0622649

CAS No: 80-18-2

Chemical Name: Methyl benzenesulfonate
Molecular Formula: C7H8O3S
Molecular Weight: 172.2
InChI Key: CZXGXYBOQYQXQD-UHFFFAOYSA-N
InChI: InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3

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:	269.1±9.0 °C at 760 mmHg
MF:	C7H8O3S
Density:	1.3±0.1 g/cm3
FW:	172.202
Product_Name:	Methyl benzenesulfonate
CAS:	80-18-2
Flash_Point:	116.6±18.7 °C
Melting_Point:	-4 °C

Bolling_Point:	269.1±9.0 °C at 760 mmHg
LogP:	0.84
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃）12730 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）-70℃ ', '5 . Boiling point（ºC,Atmospheric pressure）150℃ ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index15151 ', '8 . Flash point（ºC）86°C ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 易Soluble in 醇醚and 氯仿，微Soluble in Water 。在Water 酸碱and Ethanol 中分解']
Computational_Chemistry:	['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 518 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :196 ', '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 :1']
Melting_Point:	-4 °C
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Exact_Mass:	172.019409
MF:	C7H8O3S
Density:	1.3±0.1 g/cm3
Refractive_Index:	1.522
PSA:	51.75000
Flash_Point:	116.6±18.7 °C
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 4193 ', '2 . Molar volume 1375 ', '3 . Parachor （902K）3436 ', '4 . Surface tension 389 ', '5 . Polarizability 1662']
FW:	172.202

HS_Code:	2916399090
RIDADR:	3265
Hazard_Codes:	C:Corrosive
Hazard_Class:	8
RTECS:	DB7151000
Packing_Group:	III
Safety_Statements:	S28A-S26
Risk_Statements(EU):	R22;R34