Chemical Name: PONCEAU 3R
Molecular Formula: C19H16N2Na2O7S2
Molecular Weight: 494.5
InChI Key: SWPPXVFKWWEYSV-UHFFFAOYSA-L
InChI: InChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

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, GHS08
CAS:	3564-09-8
Flash_Point:	N/A
Product_Name:	ponceau 3r
Bolling_Point:	N/A
FW:	494.44900
Melting_Point:	N/A
MF:	C19H16N2Na2O7S2
Density:	N/A

MF:	C19H16N2Na2O7S2
Exact_Mass:	494.01900
LogP:	5.85580
Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 494019431Da ', '8. Nominal mass 494Da ', '9. Average mass 4944491Da']
FW:	494.44900
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）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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']
PSA:	176.11000
Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 1 ', '2 . Hydrogen Bond Acceptor Count 9 ', '3 . Rotatable Bond Count 2 ', '4 . Isotope Atom Count 3 ', '5 . TPSA 156 ', '6 . Heavy Atom Count 32 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 933 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 3']

Symbol:	GHS07, GHS08
Risk_Statements(EU):	R20/21/22
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	QJ6650000
RIDADR:	NONH for all modes of transport
Safety_Statements:	H302-H315-H319-H335-H351
Warning_Statement:	P261-P281-P305 + P351 + P338