Molecular Formula: 175.18
Formula Weight: C10H9NO2
Inchl Key: IRYIYPWRXROPSX-UHFFFAOYSA-N
Inchl: InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	GHS05, GHS07
CAS:	5537-71-3
Flash_Point:	169.0±23.2 °C
Product_Name:	3-(1-Cyanoethyl)benzoic acid
Bolling_Point:	355.8±25.0 °C at 760 mmHg
FW:	175.184
Melting_Point:	143-145 °C(lit.)
MF:	C10H9NO2
Density:	1.2±0.1 g/cm3

Refractive_Index:	1.564
Vapor_Pressure:	0.0±0.8 mmHg at 25°C
Flash_Point:	169.0±23.2 °C
LogP:	1.47
Bolling_Point:	355.8±25.0 °C at 760 mmHg
FW:	175.184
PSA:	61.09000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 611 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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:	143-145 °C(lit.)
MF:	C10H9NO2
Exact_Mass:	175.063324
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）145-148 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,06mmHg）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,211ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']

Symbol:	GHS05, GHS07
Risk_Statements(EU):	R22;R41;R43
HS_Code:	2926909090
WGK_Germany:	3
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xn:Harmful;
Warning_Statement:	P280-P305 + P351 + P338
Safety_Statements:	H302-H317-H318