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Paraxanthine

Catalog No: FT-0632550

CAS No: 611-59-6

Chemical Name: Paraxanthine
Molecular Formula: C7H8N4O2
Molecular Weight: 180.16 g/mol
InChI Key: QUNWUDVFRNGTCO-UHFFFAOYSA-N
InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

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

Symbol:	GHS07
CAS:	611-59-6
Flash_Point:	9 °C
Product_Name:	1,7-dimethylxanthine
Bolling_Point:	N/A
FW:	180.16400
Melting_Point:	294-296ºC(lit.)
MF:	C7H8N4O2
Density:	1.6 g/cm3

Refractive_Index:	1.737
FW:	180.16400
PSA:	72.68000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :4 ', '6. TPSA 672 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :267 ', '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:	294-296ºC(lit.)
MF:	C7H8N4O2
Exact_Mass:	180.06500
Density:	1.6 g/cm3
More_Info:	['1 . Appearance White Solid 。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）294-296 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） ', '9 . Specific rotation（º） ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 . Vapor pressure（kPa,25ºC） ', '12 . Saturated vapor pressure（kPa,60ºC） ', '13 . Combustion heat（KJ/mol） ', '14 . Critical temperature（ºC） ', '15 . Critical pressure（KPa） ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） ', '19 . Solubility 。']

Symbol:	GHS07
RIDADR:	NONH for all modes of transport
Flash_Point_(F):	48.2 °F
Flash_Point_(C):	9 °C
Risk_Statements(EU):	R22
WGK_Germany:	3
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	RV9380000
Hazard_Codes:	Xn: Harmful;
Warning_Statement:	P210-P260-P280-P301 + P310-P311
Safety_Statements:	H302