3-Bromochlorobenzene 3-Bromochlorobenzene

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:108-37-2

MDL number:MFCD00000568

EINECS number:203-575-8

RTECS number:CY9005000

BRN number:1446353

PubChem number:24847592

Physical property data

1. Properties: oily liquid.

2. Relative density (g/mL, 20/4℃): 1.6275

3. Relative density (25℃, 4℃): 1.6207

4. Melting point (ºC): -21.5

5. Boiling point (ºC, normal pressure): 196

6. Boiling point (ºC, 1.467kPa): 68~70

7. Refractive index (n20ºC): 1.5767

8. Flash point (ºC): 80

9. Refractive index at room temperature (n²⁵): 1.5743

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. Explosion lower limit (%, V/V): Undetermined

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

Toxicological data

Irritating to eyes, respiratory system and skin.

Ecological data

Generally speaking, it is not harmful to water bodies.

Molecular structure data

1. Molar refractive index: 38.83

2. Molar volume (cm³/mol): 117.5

3. Isotonic specific volume (90.2K ): 293.6

4. Surface tension (dyne/cm): 38.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. ExtremelyRate: 15.39

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.9

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

Avoid contact with strong oxidizing agents. Protective clothing should be worn when using.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used in organic synthesis and solvents. ​