3-ACETYLBENZOIC ACID
Catalog No: FT-0632448
CAS No: 586-42-5
- Molecular Formula: 163.15
- Formula Weight: C9H7O3-
- Inchl Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-M
- Inchl: InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)/p-1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 163-171 °C |
|---|---|
| CAS: | 586-42-5 |
| MF: | C9H8O3 |
| Flash_Point: | 175.3±19.7 °C |
| Product_Name: | 3-Acetylbenzoic acid |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 164.158 |
| Bolling_Point: | 342.8±25.0 °C at 760 mmHg |
| Refractive_Index: | 1.561 |
|---|---|
| Vapor_Pressure: | 0.0±0.8 mmHg at 25°C |
| Flash_Point: | 175.3±19.7 °C |
| LogP: | 1.56 |
| Bolling_Point: | 342.8±25.0 °C at 760 mmHg |
| FW: | 164.158 |
| PSA: | 54.37000 |
| Computational_Chemistry: | ['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 544 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 198 ', '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: | 163-171 °C |
| MF: | C9H8O3 |
| Exact_Mass: | 164.047348 |
| Molecular_Structure: | ['五分子性质数据 ', '1 . Molar refractive index 4321 ', '2 . Molar volume 1334 ', '3 . Parachor （902K）3545 ', '4 . Surface tension 497 ', '5 . Polarizability 1713'] |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['. Melting point（ºC）210'] |
| Risk_Statements(EU): | R36/37/38 |
|---|---|
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2918300090 |
| Safety_Statements: | S37/39-S26 |
