FT-0619030 CAS:5333-27-7 chemical structure

4-Methyl-3-nitroacetophenone

Catalog No: FT-0619030

CAS No: 5333-27-7

Molecular Formula: 179.17
Formula Weight: C9H9NO3
Inchl Key: YRBBMDOBWRUMEZ-UHFFFAOYSA-N
Inchl: InChI=1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3

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:	57-61 °C
CAS:	5333-27-7
MF:	C9H9NO3
Flash_Point:	107.7±14.6 °C
Product_Name:	4-Methyl-3-nitroacetophenone
Density:	1.2±0.1 g/cm3
FW:	179.173
Bolling_Point:	256.4±20.0 °C at 760 mmHg

Refractive_Index:	1.552
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Flash_Point:	107.7±14.6 °C
LogP:	1.95
Bolling_Point:	256.4±20.0 °C at 760 mmHg
PSA:	62.89000
Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 4765 ', '2 . Molar volume （m3/mol）1490 ', '3 . Parachor （902K）3855 ', '4 . Surface tension 447 ', '5 . Polarizability （10 -24cm 3）1889']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 629 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :221 ', '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:	57-61 °C
MF:	C9H9NO3
Exact_Mass:	179.058243
FW:	179.173
Density:	1.2±0.1 g/cm3
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）57 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）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。']