Benzoic Acid-d5
Catalog No: FT-0662569
CAS No: 1079-02-3
- Chemical Name: Benzoic Acid-d5
- Molecular Formula: C7H6O2
- Molecular Weight: 127.15
- InChI Key: WPYMKLBDIGXBTP-RALIUCGRSA-N
- InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | (2H5)Benzoic acid |
|---|---|
| Bolling_Point: | 249.3±9.0 °C at 760 mmHg |
| MF: | C7HD5O2 |
| Symbol: | GHS05, GHS07, GHS08 |
| Melting_Point: | 121-125ºC(lit.) |
| CAS: | 1079-02-3 |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 127.152 |
| Flash_Point: | 121.1±0.0 °C |
| MF: | C7HD5O2 |
|---|---|
| Bolling_Point: | 249.3±9.0 °C at 760 mmHg |
| Exact_Mass: | 127.068161 |
| More_Info: | ['1 . Appearance White or 浅米色结晶性粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)121-125 ', '5 . Boiling point(ºC,Atmospheric pressure)249 ', '6 . Boiling point(ºC,11mmHg)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(kPa,55ºC)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'] |
| Melting_Point: | 121-125ºC(lit.) |
| PSA: | 37.30000 |
| Flash_Point: | 121.1±0.0 °C |
| Refractive_Index: | 1.564 |
| Density: | 1.2±0.1 g/cm3 |
| Molecular_Structure: | ['1. Molar refractive index 3318 ', '2. Molar volume 1019 ', '3. Parachor (902K)2694 ', '4. Surface tension 487 ', '5. Dielectric constant N/A ', '6. Polarizability 1315 ', '7. Single isotope mass 127068163 Da ', '8. Nominal mass 127 Da ', '9. Average mass 1271521 Da'] |
| Computational_Chemistry: | ['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 104 ', '10. Isotope Atom Count 5 ', '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'] |
| FW: | 127.152 |
| LogP: | 1.89 |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Risk_Statements(EU): | R22 |
|---|---|
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Safety_Statements: | S22-S26-S36 |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P342 + P311 |
| Symbol: | GHS05, GHS07, GHS08 |
| Hazard_Codes: | Xn |
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