Keywords

• 4-Cl-phenylacetic acid
• 4-Chlorobenzeneacetic acid
• EINECS 217-521-6

Quick Details

• ProName: Free Sample 4-Chlorophenylacetic acid ...
• CasNo: 1878-66-6
• Molecular Formula: C8H7ClO2
• Appearance: White to cream Powder
• Application: Used as pharmaceutical intermediate
• DeliveryTime: 3-5days
• PackAge: Barreled
• Port: shanghai
• ProductionCapacity: 5000 Metric Ton/Year
• Purity: 99%
• Storage: Sealed in dry,Room Temperature
• Transportation: Sealed in dry,Room Temperature
• LimitNum: 1 Kilogram
• Moisture Content: No
• Impurity: No
• Place of Origin: China

Superiority

Details

Physicochemical properties
Density: 1.3±0.1 g/cm3
Boiling point: 294.1±15.0 °C at 760 mmHg
Melting point: 102-105 °C(lit.)
Molecular formula: C8H7ClO2
Molecular weight: 170.593
Flash point: 131.7±20.4 °C
Exact quality: 170.013458
PSA: 37.30000
LogP: 2.10
Appearance: white to cream powder
Vapor pressure: 0.0±0.7 mmHg at 25°C
Refractive index: 1.570
Storage conditions: Keep the receptacle sealed and stored in a cool and dry place, and ensure that there is a good ventilation or exhaust device in the workplace.

Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): 2.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 139

10. Number of isotope atoms: 0

11. Determine the number of atomic stereo centers: 0

12. Uncertain number of atomic stereo centers: 0

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

14. Uncertain number of chemical bond stereo centers: 0

15. Number of covalent bond units: 1