FT-0607616 CAS:453-11-2 chemical structure

1-CHLORO-3-FLUOROISOPROPANOL

Name: 1-CHLORO-3-FLUOROISOPROPANOL
Rating: 4.5 (11 reviews)

Catalog No: FT-0607616

CAS No: 453-11-2

Molecular Formula: 112.53
Formula Weight: C3H6ClFO
Inchl Key: ZNKJYZHZWALQNX-UHFFFAOYSA-N
Inchl: InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2

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

Melting_Point:	N/A
CAS:	453-11-2
MF:	C3H6ClFO
Flash_Point:	49.4ºC
Product_Name:	1-chloro-3-fluoroisopropanol
Density:	1.3
FW:	112.53100
Bolling_Point:	158.1ºC at 760mmHg

Refractive_Index:	1.438
Vapor_Pressure:	0.951mmHg at 25°C
Flash_Point:	49.4ºC
LogP:	0.55560
Bolling_Point:	158.1ºC at 760mmHg
FW:	112.53100
PSA:	20.23000
Computational_Chemistry:	['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 6 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 34 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF:	C3H6ClFO
Exact_Mass:	112.00900
Molecular_Structure:	['1 . Molar refractive index 2245 ', '2 . Molar volume （m3/mol）927 ', '3 . Parachor （902K）2135 ', '4 . Surface tension 280 ', '5 . Polarizability （10 -24cm 3）890']
Density:	1.3
More_Info:	['1 . Appearance Colourless or 微Yellow Liquid ', '2 . Density（g/ m3,25/4℃）13 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）153 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1438 ', '8 . Flash point（ºC）153-156 ', '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 Soluble in Water ']