DIGITOXIN

Name: DIGITOXIN
Rating: 4.5 (11 reviews)

Catalog No: FT-0603272

CAS No: 71-63-6

Molecular Formula: 764.9
Formula Weight: C41H64O13
Inchl Key: WDJUZGPOPHTGOT-XUDUSOBPSA-N
Inchl: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1

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

Symbol:	GHS02, GHS06, GHS08
CAS:	71-63-6
Flash_Point:	269.5±27.8 °C
Product_Name:	Digitoxin
Bolling_Point:	902.3±65.0 °C at 760 mmHg
FW:	764.939
Melting_Point:	240ºC (dec.)(lit.)
MF:	C41H64O13
Density:	1.3±0.1 g/cm3

Refractive_Index:	1.594
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Flash_Point:	269.5±27.8 °C
LogP:	2.44
Bolling_Point:	902.3±65.0 °C at 760 mmHg
PSA:	182.83000
Molecular_Structure:	['1 . Molar refractive index 19487 ', '2 . Molar volume 5745 ', '3 . Parachor （902K）16075 ', '4 . Surface tension 612 ', '5 . Polarizability 7725']
Computational_Chemistry:	['1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 183 ', '6 . Heavy Atom Count 54 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1410 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 20 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	240ºC (dec.)(lit.)
MF:	C41H64O13
Exact_Mass:	764.434692
FW:	764.939
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance 洋地黄毒苷为White or 淡Yellow 结晶性粉末 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）256～257ºC ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52 kPa）不确定 ', '7 . Refractive index17 ° (C=2, CHCl3) ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）+48°, c=12，二噁烷 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25 ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60 ºC）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 Soluble in 酸氯仿丙酮and 吡啶，微Soluble in Water and 石油醚。无臭，味苦。']

Symbol:	GHS02, GHS06, GHS08
RIDADR:	UN 2811
Packing_Group:	II
Hazard_Class:	6.1(a)
Risk_Statements(EU):	R23/25;R33
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
RTECS:	IH2275000
Hazard_Codes:	T: Toxic;
Warning_Statement:	P210-P260-P280-P301 + P310-P311
Safety_Statements:	H225-H301 + H311 + H331-H370