![4-chloro-5-phenylthieno[2,3-d]pyrimidine (CAS: 182198-35-2) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0749722.png "4-chloro-5-phenylthieno[2,3-d]pyrimidine chemical structure")
4-chloro-5-phenylthieno[2,3-d]pyrimidine
Catalog No: FT-0749722
CAS No: 182198-35-2
- Chemical Name: 4-chloro-5-phenylthieno[2,3-d]pyrimidine
- Molecular Formula: C12H7ClN2S
- Molecular Weight: 246.72
- InChI Key: WONOKVSIDWOIGC-UHFFFAOYSA-N
- InChI: InChI=1S/C12H7ClN2S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H
| 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 |
| Bolling_Point: | 418.9ºC at 760 mmHg |
|---|---|
| CAS: | 182198-35-2 |
| MF: | C12H7ClN2S |
| Density: | 1.396g/cm3 |
| Melting_Point: | 130°C |
| Product_Name: | 4-chloro-5-phenylthieno[2,3-d]pyrimidine |
| Flash_Point: | N/A |
| FW: | 246.71500 |
| MF: | C12H7ClN2S |
|---|---|
| Density: | 1.396g/cm3 |
| Computational_Chemistry: | ['1. XlogP :41 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 54 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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'] |
| More_Info: | ['1 . Appearance 粉末 ', '2 . Density（g/mL25 ºC,）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）130 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC023mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF01mmHg）Unknow ', '9 . Specific rotation（º）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 Unknow'] |
| Exact_Mass: | 246.00200 |
| Vapor_Pressure: | 7.73E-07mmHg at 25°C |
| PSA: | 54.02000 |
| LogP: | 4.01170 |
| Bolling_Point: | 418.9ºC at 760 mmHg |
| FW: | 246.71500 |
| Refractive_Index: | 1.698 |
| Melting_Point: | 130°C |
| WGK_Germany: | 3 |
|---|---|
| Hazard_Class: | 6.1(b) |
| Hazard_Codes: | Xn,Xi |
| HS_Code: | 29081000 |
| Safety_Statements: | S28-S36/37-S37/39-S26 |
| Packing_Group: | III |
| RIDADR: | UN 2811 6.1/PG 3 |
| Risk_Statements(EU): | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . |
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