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4-thiophen-3-ylbenzonitrile

Catalog No: FT-0729002

CAS No: 172507-33-4

Chemical Name: 4-thiophen-3-ylbenzonitrile
Molecular Formula: C11H7NS
Molecular Weight: 185.25
InChI Key: GRAMVGQZHXAXHP-UHFFFAOYSA-N
InChI: InChI=1S/C11H7NS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8H

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:	GHS05, GHS06
CAS:	172507-33-4
Flash_Point:	137.5ºC
Product_Name:	4-thiophen-3-ylbenzonitrile
Bolling_Point:	303.7ºC at 760 mmHg
FW:	185.24500
Melting_Point:	87-91ºC(lit.)
MF:	C11H7NS
Density:	1.23g/cm3

FW:	185.24500
Refractive_Index:	1.639
Vapor_Pressure:	0.000913mmHg at 25°C
Flash_Point:	137.5ºC
LogP:	3.28678
Bolling_Point:	303.7ºC at 760 mmHg
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）87-91 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，8mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
Computational_Chemistry:	['1. XlogP :29 ', '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 :209 ', '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:	87-91ºC(lit.)
MF:	C11H7NS
Exact_Mass:	185.03000
Molecular_Structure:	['1 . Molar refractive index 5416 ', '2 . Molar volume （m3/mol）1503 ', '3 . Parachor （902K）4099 ', '4 . Surface tension 552 ', '5 . Polarizability （10 -24cm 3）2147']
Density:	1.23g/cm3
PSA:	52.03000

Symbol:	GHS05, GHS06
Risk_Statements(EU):	R22
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RIDADR:	UN 2811 6.1/PG 3
HS_Code:	2934999090
Hazard_Codes:	Xn
Warning_Statement:	P261-P280-P301 + P310-P305 + P351 + P338
Safety_Statements:	H301-H315-H318-H335