FT-0606693 CAS:2749-59-9 chemical structure

1,3-Dimethyl-5-pyrazolone

Name: 1,3-Dimethyl-5-pyrazolone
Rating: 4.5 (11 reviews)

Catalog No: FT-0606693

CAS No: 2749-59-9

Molecular Formula: 112.13
Formula Weight: C5H8N2O
Inchl Key: NDELSWXIAJLWOU-UHFFFAOYSA-N
Inchl: InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3

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

FW:	112.130
CAS:	2749-59-9
Melting_Point:	117°C
Bolling_Point:	151.7±23.0 °C at 760 mmHg
MF:	C5H8N2O
Product_Name:	1,3-Dimethyl-5-pyrazolone
Flash_Point:	45.5±22.6 °C
Density:	1.2±0.1 g/cm3

FW:	112.130
MF:	C5H8N2O
Refractive_Index:	1.554
Vapor_Pressure:	3.6±0.3 mmHg at 25°C
Bolling_Point:	151.7±23.0 °C at 760 mmHg
Exact_Mass:	112.063660
PSA:	32.67000
Computational_Chemistry:	['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 327 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 151 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Molecular_Structure:	['1 . Molar refractive index 3052 ', '2 . Molar volume （m3/mol）951 ', '3 . Parachor （902K）2371 ', '4 . Surface tension 384 ', '5 . Polarizability 1210']
LogP:	-0.44
Melting_Point:	117°C
Flash_Point:	45.5±22.6 °C
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance Yellow Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）117 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']