BENZHYDRYL ISOTHIOCYANATE

Catalog No: FT-0622662

CAS No: 3550-21-8

Chemical Name: BENZHYDRYL ISOTHIOCYANATE
Molecular Formula: C14H11NS
Molecular Weight: 225.31
InChI Key: WDOSFTZMBFYTED-UHFFFAOYSA-N
InChI: InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H

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:	Danger
FW:	225.30900
Density:	1.05g/cm3
CAS:	3550-21-8
Bolling_Point:	160-165°C 4mm
Product_Name:	[isothiocyanato(phenyl)methyl]benzene
Melting_Point:	57-61 °C(lit.)
Flash_Point:	160-165°C/4mm
MF:	C14H11NS

Molecular_Structure:	['1 . Molar refractive index 7234 ', '2 . Molar volume （m3/mol）2143 ', '3 . Parachor （902K）5338 ', '4 . Surface tension 384 ', '5 . Polarizability （10 -24cm 3）2868']
Flash_Point:	160-165°C/4mm
Refractive_Index:	1.59
FW:	225.30900
Density:	1.05g/cm3
Bolling_Point:	160-165°C 4mm
Computational_Chemistry:	['1. XlogP :5 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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 :1']
LogP:	3.87880
Melting_Point:	57-61 °C(lit.)
PSA:	44.45000
MF:	C14H11NS
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）58-60 ', '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']
Exact_Mass:	225.06100

Hazard_Codes:	Xn:Harmful;
Symbol:	Danger
Packing_Group:	III
Hazard_Class:	6.1
Warning_Statement:	P261-P280-P305 + P351 + P338-P342 + P311
HS_Code:	2930909090
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Risk_Statements(EU):	R20/21/22;R36/37/38
Safety_Statements:	S22-S26-S36
RIDADR:	2811
WGK_Germany:	3