Chemical Name: PURPURIN
Molecular Formula: C14H8O5
Molecular Weight: 256.21
InChI Key: BBNQQADTFFCFGB-UHFFFAOYSA-N
InChI: InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H

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:	525.1±45.0 °C at 760 mmHg
CAS:	81-54-9
MF:	C14H8O5
Melting_Point:	253-256ºC(lit.)
Symbol:	Warning
Density:	1.7±0.1 g/cm3
FW:	256.210
Product_Name:	purpurin
Flash_Point:	285.4±25.2 °C

Bolling_Point:	525.1±45.0 °C at 760 mmHg
Vapor_Pressure:	0.0±1.4 mmHg at 25°C
LogP:	4.60
More_Info:	['1 . Appearance 橙色针状结晶or 红色针状结晶 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）253-256 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 易Soluble in Ethanol 呈红色，Soluble in Ethyl ether 呈强烈Yellow 并带荧光，Soluble in 苯甲苯and 二甲苯呈深Yellow ，Soluble in 沸明矾溶液呈红色。在沸Water 中溶解度比茜素为大，呈Yellow 。']
Computational_Chemistry:	['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :30 ', '6. TPSA 948 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :407 ', '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:	253-256ºC(lit.)
Exact_Mass:	256.037170
MF:	C14H8O5
Density:	1.7±0.1 g/cm3
Refractive_Index:	1.773
PSA:	94.83000
Flash_Point:	285.4±25.2 °C
Molecular_Structure:	['1 . Molar refractive index 6431 ', '2 . Molar volume （m3/mol）1543 ', '3 . Parachor （902K）4804 ', '4 . Surface tension 939 ', '5 . Polarizability 2549']
FW:	256.210

Symbol:	Warning
HS_Code:	2914690090
Safety_Statements:	S26;S36
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	CB8200000
Hazard_Codes:	Xi: Irritant;
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38
Warning_Statement:	P261-P305 + P351 + P338