3-Nitrocinnamic acid
Catalog No: FT-0616248
CAS No: 555-68-0
- Molecular Formula: 193.16
- Formula Weight: C9H7NO4
- Inchl Key: WWXMVRYHLZMQIG-PLNGDYQASA-N
- Inchl: InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4-
| 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: | 200-202 °C(lit.) |
|---|---|
| CAS: | 555-68-0 |
| MF: | C9H7NO4 |
| Flash_Point: | 166.5±11.6 °C |
| Product_Name: | m-Nitrocinnamic acid |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 193.156 |
| Bolling_Point: | 372.1±25.0 °C at 760 mmHg |
| Refractive_Index: | 1.655 |
|---|---|
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| Flash_Point: | 166.5±11.6 °C |
| LogP: | 2.31 |
| Bolling_Point: | 372.1±25.0 °C at 760 mmHg |
| PSA: | 83.12000 |
| Molecular_Structure: | ['1 . Molar refractive index 5025 ', '2 . Molar volume 1368 ', '3 . Parachor （902K）3875 ', '4 . Surface tension 642 ', '5 . Polarizability 1990'] |
| Computational_Chemistry: | ['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 804 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 256 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| Melting_Point: | 200-202 °C(lit.) |
| MF: | C9H7NO4 |
| Exact_Mass: | 193.037506 |
| FW: | 193.156 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 性质有顺式and 反式两种异构体。反式为Yellow 针状结晶。 ', '2 反式. Melting point（℃ ）200-202 ', '3 反式. Solubility Soluble in Ethanol 热苯，微Soluble in Water ，Soluble in 碱性Water 溶液。 ', '4 顺式. Melting point（℃ ）158'] |
| Risk_Statements(EU): | R36/37/38 |
|---|---|
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| RTECS: | GE0352000 |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi:Irritant |
| HS_Code: | 29163900 |
| Safety_Statements: | S22-S24/25 |
