β-Bromophene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:589-10-6

MDL number:MFCD00000234

EINECS number:209-634-4

RTECS number:None

BRN number:508290

PubChem number:24892007

Physical property data

1. Properties: liquid or solid.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 34

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.33kPa): 144

7. Refractive index: Undetermined

8. Flash point (ºC): 65

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure ( kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in ethanol and ether, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 79.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Irritant to eyes, respiratory system and skin.

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

Obtained from the reaction of phenol and dibromoethane. Stir and mix phenol, dibromoethane and sodium hydroxide in a reaction pot, react at 110°C for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and separate Take the oil layer, distill it under reduced pressure, and collect the 130-150°C (6.7kPa) fraction to obtain (2-bromoethoxy)benzene.

Purpose

Used in organic synthesis.

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