Chemical Name: Ketoconazole
Molecular Formula: C26H28Cl2N4O4
Molecular Weight: 531.4
InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
InChI: InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1

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:	GHS06, GHS08, GHS09
CAS:	65277-42-1
Flash_Point:	409.4±32.9 °C
Product_Name:	Ketoconazole
Bolling_Point:	753.4±60.0 °C at 760 mmHg
FW:	531.431
Melting_Point:	146°C
MF:	C26H28Cl2N4O4
Density:	1.4±0.1 g/cm3

Refractive_Index:	1.642
Vapor_Pressure:	0.0±2.5 mmHg at 25°C
Flash_Point:	409.4±32.9 °C
LogP:	3.55
Bolling_Point:	753.4±60.0 °C at 760 mmHg
PSA:	69.06000
Molecular_Structure:	['1 . Molar refractive index 13911 ', '2 . Molar volume 3849 ', '3 . Parachor （902K）10345 ', '4 . Surface tension 521 ', '5 . Polarizability 5515']
Computational_Chemistry:	['1 . XlogP 43 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 691 ', '6 . Heavy Atom Count 36 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 736 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '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:	146°C
MF:	C26H28Cl2N4O4
Exact_Mass:	530.148743
FW:	531.431
Density:	1.4±0.1 g/cm3
More_Info:	['1 . Appearance White 结晶性粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）146 ', '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 不能Soluble in Water 。']

Symbol:	GHS06, GHS08, GHS09
RIDADR:	UN 2811 6.1/PG 3
HS_Code:	2933990090
Packing_Group:	III
Hazard_Class:	6.1(b)
Risk_Statements(EU):	R25
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
RTECS:	TK7912300
Hazard_Codes:	T:Toxic;
Warning_Statement:	P201-P273-P301 + P310-P308 + P313-P501
Safety_Statements:	H301-H360F-H373-H410