1-ethynyl-2-nitrobenzene

Catalog No: FT-0694354

CAS No: 16433-96-8

Chemical Name: 1-ethynyl-2-nitrobenzene
Molecular Formula: C8H5NO2
Molecular Weight: 147.13
InChI Key: FWAGYANFBMIHFQ-UHFFFAOYSA-N
InChI: InChI=1S/C8H5NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H

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

FW:	147.131
CAS:	16433-96-8
Melting_Point:	82-85ºC(lit.)
Bolling_Point:	247.5±23.0 °C at 760 mmHg
MF:	C8H5NO2
Product_Name:	1-Ethynyl-2-nitrobenzene
Flash_Point:	113.2±15.4 °C
Density:	1.2±0.1 g/cm3

FW:	147.131
MF:	C8H5NO2
Refractive_Index:	1.580
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）82-85 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,15mmHg）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（20ºC）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']
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Bolling_Point:	247.5±23.0 °C at 760 mmHg
Exact_Mass:	147.032028
PSA:	45.82000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :198 ', '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']
Molecular_Structure:	['1 . Molar refractive index 3984 ', '2 . Molar volume 1197 ', '3 . Parachor （902K）3202 ', '4 . Surface tension 511 ', '5 . Polarizability 1579 ', '6 . Dielectric constant 未确定']
LogP:	2.13
Melting_Point:	82-85ºC(lit.)
Flash_Point:	113.2±15.4 °C
Density:	1.2±0.1 g/cm3