3-Cyanobenzoic acid


Catalog No:   FT-0615553

CAS No:   1877-72-1

  • Molecular Formula:  147.13
  • Formula Weight: C8H5NO2
  • Inchl Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS07
CAS: 1877-72-1
Flash_Point: 150.1±23.2 °C
Product_Name: 3-Cyanobenzoic acid
Bolling_Point: 324.7±25.0 °C at 760 mmHg
FW: 147.131
Melting_Point: 220-224 °C(lit.)
MF: C8H5NO2
Density: 1.3±0.1 g/cm3
Refractive_Index: 1.592
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 150.1±23.2 °C
LogP: 1.48
Bolling_Point: 324.7±25.0 °C at 760 mmHg
FW: 147.131
PSA: 61.09000
Computational_Chemistry: ['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 611 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 203 ', '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: 220-224 °C(lit.)
MF: C8H5NO2
Exact_Mass: 147.032028
Density: 1.3±0.1 g/cm3
More_Info: ['1 . Appearance 粉末 ', '2 . Density(g/mL,20ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)219-224 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,05mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°F)Unknow ', '9 . Specific rotation(ºC)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 稍微可溶解的']
Symbol: GHS07
RIDADR: 3439
HS_Code: 2926909090
Packing_Group: III
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22
WGK_Germany: 3
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes: Xn:Harmful;
Warning_Statement: P261-P305 + P351 + P338
Safety_Statements: H315-H319-H335

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