Molecular Formula: 392.7
Formula Weight: C7H3ClF6N2O4S2
Inchl Key: TUFGVZMNGTYAQD-UHFFFAOYSA-N
Inchl: InChI=1S/C7H3ClF6N2O4S2/c8-4-1-2-5(15-3-4)16(21(17,18)6(9,10)11)22(19,20)7(12,13)14/h1-3H

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	358.3±52.0 °C at 760 mmHg
CAS:	145100-51-2
MF:	C7H3ClF6N2O4S2
Melting_Point:	45-47 °C(lit.)
Symbol:	Warning
Density:	1.9±0.1 g/cm3
FW:	392.683
Product_Name:	Comins' Reagent
Flash_Point:	170.5±30.7 °C

Bolling_Point:	358.3±52.0 °C at 760 mmHg
LogP:	2.68
More_Info:	['1 . Appearance White or 浅棕色粉末 ', '2 . Density（g/mL, 20 ℃ ） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-47 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 02mmHg）77-90 ', '7 . Refractive index ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 在Water 中反应']
Computational_Chemistry:	['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :561 ', '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:	45-47 °C(lit.)
Vapor_Pressure:	0.0±0.8 mmHg at 25°C
Exact_Mass:	391.912689
MF:	C7H3ClF6N2O4S2
Density:	1.9±0.1 g/cm3
Refractive_Index:	1.499
PSA:	101.17000
Flash_Point:	170.5±30.7 °C
Molecular_Structure:	['1. Molar refractive index 6088 ', '2. Molar volume 2074 ', '3. Parachor （902K）5529 ', '4. Surface tension 504 ', '5. Dielectric constant N/A ', '6. Polarizability 2413 ', '7. Single isotope mass 391912693 Da ', '8. Nominal mass 392 Da ', '9. Average mass 3926831 Da']
FW:	392.683

WGK_Germany:	3
Symbol:	Warning
HS_Code:	2935009090
Safety_Statements:	S26-S36
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Warning_Statement:	P261-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38
Hazard_Codes:	Xi:Irritant;