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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