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METHYL 4-IODO-3-METHYLBENZOATE

Catalog No: FT-0647533

CAS No: 5471-81-8

Chemical Name: METHYL 4-IODO-3-METHYLBENZOATE
Molecular Formula: C9H9IO2
Molecular Weight: 276.07
InChI Key: HCSGWQGKCVQIRM-UHFFFAOYSA-N
InChI: InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3

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:	299.0±28.0 °C at 760 mmHg
MF:	C9H9IO2
Density:	1.7±0.1 g/cm3
FW:	276.071
Product_Name:	Methyl 4-iodo-3-methylbenzoate
CAS:	5471-81-8
Flash_Point:	134.6±24.0 °C
Melting_Point:	59-62ºC

Bolling_Point:	299.0±28.0 °C at 760 mmHg
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
LogP:	3.86
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）59-62 ', '5 . Boiling point（ºC,Atmospheric pressure）106 ', '6 . Boiling point（ºC,52kPa）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（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 Unknow']
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :170 ', '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:	59-62ºC
Exact_Mass:	275.964722
MF:	C9H9IO2
Density:	1.7±0.1 g/cm3
Refractive_Index:	1.588
PSA:	26.30000
Flash_Point:	134.6±24.0 °C
Molecular_Structure:	['1 . Molar refractive index 5575 ', '2 . Molar volume （m3/mol）1656 ', '3 . Parachor （902K）4253 ', '4 . Surface tension 434 ', '5 . Polarizability （10 -24cm 3）2210']
FW:	276.071