Molecular Formula: 460.3
Formula Weight: C21H21IN2O2
Inchl Key: FIZZUEJIOKEFFZ-UHFFFAOYSA-M
Inchl: InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/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

Product_Name:	C3-oxacyanine
Flash_Point:	N/A
Melting_Point:	278ºC (dec.)(lit.)
FW:	460.30800
Density:	N/A
CAS:	905-96-4
Bolling_Point:	N/A
MF:	C21H21IN2O2

Computational_Chemistry:	['1 . XlogP 未确定 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 295 ', '7 . Heavy Atom Count 26 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 474 ', '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 2']
LogP:	1.08680
Melting_Point:	278ºC (dec.)(lit.)
FW:	460.30800
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）278 ', '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:	35.09000
MF:	C21H21IN2O2
Exact_Mass:	460.06500

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38
Hazard_Codes:	Xi: Irritant;
Safety_Statements:	26-36