3-PHENYLPROPIONITRILE

Catalog No: FT-0649505

CAS No: 645-59-0

Chemical Name: 3-PHENYLPROPIONITRILE
Molecular Formula: C9H9N
Molecular Weight: 131.17
InChI Key: ACRWYXSKEHUQDB-UHFFFAOYSA-N
InChI: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

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
CAS:	645-59-0
Flash_Point:	>230 °F
Product_Name:	3-phenylpropionitrile
Bolling_Point:	113 °C9 mm Hg(lit.)
FW:	131.17400
Melting_Point:	−2-−1 °C(lit.)
MF:	C9H9N
Density:	1.001 g/mL at 25 °C(lit.)

Refractive_Index:	n20/D 1.521(lit.)
Flash_Point:	>230 °F
LogP:	2.14278
Bolling_Point:	113 °C9 mm Hg(lit.)
PSA:	23.79000
Molecular_Structure:	['1 . Molar refractive index 4034 ', '2 . Molar volume 1321 ', '3 . Parachor （902K）3319 ', '4 . Surface tension 398 ', '5 . Polarizability 1599']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '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:	−2-−1 °C(lit.)
MF:	C9H9N
Exact_Mass:	131.07300
FW:	131.17400
Density:	1.001 g/mL at 25 °C(lit.)
More_Info:	['1 . Appearance 有毒Liquid 。 ', '2 . Density（g/mL,25/4℃）1008 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-1 ', '5 . Boiling point（ºC,Atmospheric pressure）261，141ºC（3333pa） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index(n28D)1521 ', '8 . Flash point（ºC）＞110 ', '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 Soluble in Ethanol Ethyl ether ，微Soluble in 氯仿。']

Symbol:	GHS06
RIDADR:	UN 3276 6.1/PG 3
HS_Code:	2926909090
Packing_Group:	II
Hazard_Class:	6.1
Risk_Statements(EU):	R25
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
RTECS:	MW5604750
Hazard_Codes:	T:Toxic;
Warning_Statement:	P261-P280-P301 + P310-P311
Safety_Statements:	H301 + H311 + H331