Molecular Formula: 416.4
Formula Weight: C20H13N2NaO5S
Inchl Key: HOWITLLZNKSJOJ-UHFFFAOYSA-M
Inchl: InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1

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

Symbol:	Warning
FW:	416.38200
Density:	N/A
CAS:	3564-14-5
Bolling_Point:	N/A
Product_Name:	Mordant Black 3
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C20H13N2NaO5S

Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 2 ', '2 . Hydrogen Bond Acceptor Count 7 ', '3 . Rotatable Bond Count 3 ', '4 . Isotope Atom Count 11 ', '5 . TPSA 119 ', '6 . Heavy Atom Count 29 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 791 ', '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 2']
LogP:	5.80450
FW:	416.38200
More_Info:	['1 . Appearance 棕黑色粉末 ', '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 可溶解的']
PSA:	130.76000
MF:	C20H13N2NaO5S
Exact_Mass:	416.04400

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	QK2195000
Risk_Statements(EU):	R36
Safety_Statements:	S26-S39
Symbol:	Warning
Warning_Statement:	P305 + P351 + P338
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi:Irritant;
HS_Code:	32041900