4-Chlorophenylacetylene
Catalog No: FT-0618250
CAS No: 873-73-4
- Molecular Formula: 136.58
- Formula Weight: C8H5Cl
- Inchl Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 136.578 |
|---|---|
| CAS: | 873-73-4 |
| Flash_Point: | 57.3±18.0 °C |
| MF: | C8H5Cl |
| Symbol: | Danger |
| Bolling_Point: | 178.5±23.0 °C at 760 mmHg |
| Melting_Point: | 45-47 °C(lit.) |
| Product_Name: | 4-Chlorophenylacetylene |
| Density: | 1.1±0.1 g/cm3 |
| FW: | 136.578 |
|---|---|
| MF: | C8H5Cl |
| Refractive_Index: | 1.564 |
| Bolling_Point: | 178.5±23.0 °C at 760 mmHg |
| Exact_Mass: | 136.007980 |
| Vapor_Pressure: | 1.3±0.3 mmHg at 25°C |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :123 ', '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'] |
| Molecular_Structure: | ['1制法 ', '于装有搅拌器氮气导管回流冷凝器的反应瓶中，加入对氯苯乙酮(2)148g（0096mol），五氯化磷24g(0114mol),油浴加热至70℃。化合物(2)溶化后放出大量氯化氢气体，约10min后生成黄色澄清液体。减压蒸馏，蒸出生成的三氯氧磷，而后于133Pa压力下蒸出中简体(3)和（4），收集45～56℃的馏分，得到142g。将其加入90mLDMSO中，加入由12g氢氧化钾溶于10mL水配成的溶液，于80℃油浴加热2h。倒入300mL冰水中，己烷提取3次。合并提取液，水洗饱和食盐水洗涤，无水碳酸钾干燥。回收溶剂后于乙醇-水中重结晶，得黄色结晶①(1)34g，mp42℃，bp79～82℃/306kPa，收率26%(以对氯苯乙酮计)。注①采用类似的合成方法，可以合成对甲基苯乙炔，bp75～81℃/267kpa,收率48%。对氟苯乙炔，bp28～41℃/173kpa,收率36%。'] |
| LogP: | 2.99 |
| Melting_Point: | 45-47 °C(lit.) |
| Flash_Point: | 57.3±18.0 °C |
| Density: | 1.1±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Yellow or 浅棕色Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-47 ', '5 . Boiling point（ºC,Atmospheric pressure）79-82 ', '6 . Boiling point（ºC,11mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）10 ', '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'] |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Symbol: | GHS02, GHS07 |
| WGK_Germany: | 3 |
| Warning_Statement: | P210-P261-P305 + P351 + P338 |
| Safety_Statements: | H228-H315-H319-H335 |
| RIDADR: | UN 1325 4.1/PG 2 |
| Risk_Statements(EU): | R11;R36/37/38 |
| Hazard_Codes: | F:Flammable;Xi:Irritant; |
| HS_Code: | 2903999090 |
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