Chemical Name: Butoconazole
Molecular Formula: C19H17Cl3N2S
Molecular Weight: 411.8
InChI Key: SWLMUYACZKCSHZ-UHFFFAOYSA-N
InChI: InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2

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

Bolling_Point:	566.9±50.0 °C at 760 mmHg
Vapor_Pressure:	0.0±1.5 mmHg at 25°C
More_Info:	['1. Appearance 从环己烷得to 结晶。 ', '2. Melting point68-705℃。']
LogP:	6.88
Computational_Chemistry:	['1. XlogP :64 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 431 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :383 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	68-70.5ºC
Exact_Mass:	410.017792
MF:	C19H17Cl3N2S
Density:	1.3±0.1 g/cm3
Refractive_Index:	1.634
PSA:	43.12000
Flash_Point:	296.7±30.1 °C
Molecular_Structure:	['1 . Molar refractive index 11108 ', '2 . Molar volume 3108 ', '3 . Parachor （902K）8134 ', '4 . Surface tension 469 ', '5 . Polarizability 4403']
FW:	411.776

HS_Code:	2933290090
RIDADR:	UN 3260 8/PG 2
WGK_Germany:	3
Hazard_Codes:	C
Hazard_Class:	8
Packing_Group:	II
Safety_Statements:	S22-S26-S36/37/39-S45
Risk_Statements(EU):	R14:Reacts violently with water. R34:Causes burns. R40:Limited evidence of a carcinogenic effect. R42/43:May cause sensitization by inhalation and skin contact .