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♦ High purity, all above 98.5%, no impurities after dissolution

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♦ OEM and private brand services designed for free

♦ Various cap colors available

♦ We can also provide MT1 peptide powder

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Density 1.1± 0.1g /cm3
Boiling point 178.5±23.0 °C at 760 mmHg
Melting point 45-47 °C(lit.)
Molecular formula C8H5Cl
Molecular weight 136.578
Flash point 57.3±18.0 °C
Accurate mass 136.007980
LogP 2.99
Appearance properties white crystalline solid
Vapor pressure 1.3±0.3 mmHg at 25°C
Refractive index 1.564
Storage condition
Store sealed in a cool, dry warehouse. Stay away from fire, flammable and explosive areas.

Stability Stable under normal temperature and pressure, avoid contact with incompatible materials and fire source. It reacts with a strong oxidant.
Molecular structure
1. Preparation method:

The oil bath was heated to 70℃ by adding 14.8g (0.096mol) of p-chlorophenone (2) and 24g(0.114mol) of phosphorus pentachloride into the reaction bottle equipped with agitator, nitrogen tube and reflux condenser. Compound (2) dissolved and released a large amount of hydrogen chloride gas, about 10 minutes later to produce yellow clarified liquid. Under vacuum distillation, the produced phosphorus oxychloride was steamed, and then the middle simplified (3) and (4) were steamed at 1.33Pa. The fraction of 45 ~ 56℃ was collected to obtain 14.2g. Add it to 90mLDMSO, add 12g potassium hydroxide solution dissolved in 10mL water, and heat it in 80℃ oil bath for 2h. Pour into 300mL ice water and extract hexane three times. Combine extraction solution, wash in water, saturated salt water washing, anhydrous potassium carbonate dry. The yellow crystal ①(1)3.4g, mp42℃, bp79 ~ 82℃/3.06kPa, 26% yield (calculated by p-chlorophenone) was obtained by recrystallization in ethanol-water. Note: ① By similar synthesis method, p-methylphenylene can be synthesized, bp75 ~ 81℃/2.67kpa, yield 48%. P-fluorophenylene, bp28 ~ 41℃/1.73kpa, yield 36%.

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area is 0

7. Number of heavy atoms :9

8. Surface charge :0

9. Complexity :123

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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