5-CHLOROTHIANAPHTHENE-3-ACETONITRILE

Catalog No: FT-0620311

CAS No: 23799-60-2

Chemical Name: 5-CHLOROTHIANAPHTHENE-3-ACETONITRILE
Molecular Formula: C10H6ClNS
Molecular Weight: 207.68
InChI Key: JTPXNKOVUOJIKL-UHFFFAOYSA-N
InChI: InChI=1S/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2

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

Melting_Point:	133 °C
CAS:	23799-60-2
MF:	C10H6ClNS
Flash_Point:	179.7ºC
Product_Name:	2-(5-chloro-1-benzothiophen-3-yl)acetonitrile
Density:	1.373g/cm3
FW:	207.67900
Bolling_Point:	373.5ºC at 760mmHg

Refractive_Index:	1.675
Vapor_Pressure:	8.89E-06mmHg at 25°C
Flash_Point:	179.7ºC
LogP:	3.62078
Bolling_Point:	373.5ºC at 760mmHg
PSA:	52.03000
Molecular_Structure:	['1 . Molar refractive index 5683 ', '2 . Molar volume （m3/mol）1511 ', '3 . Parachor （902K）4150 ', '4 . Surface tension 567 ', '5 . Polarizability （10 -24cm 3）2253']
Computational_Chemistry:	['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 52 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :234 ', '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']
Melting_Point:	133 °C
MF:	C10H6ClNS
Exact_Mass:	206.99100
FW:	207.67900
Density:	1.373g/cm3
More_Info:	['1 . Appearance 浅Yellow 粉末 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）133-135 ', '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,20ºC）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']

Hazard_Class:	6.1
Risk_Statements(EU):	R22;R36/37/38
RIDADR:	3276
Hazard_Codes:	Xn:Harmful;
HS_Code:	2934999090
Safety_Statements:	S26-S36
Packing_Group:	III

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