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:92-86-4

MDL number:MFCD00000101

EINECS number:202-198-6

RTECS number:None

BRN number:2044701

PubChem number:24860793

Physical property data

1. Properties: brown oily substance.

2. Gas phase standard entropy (J·mol^-1·K^-1): 468.1

3. Gas phase standard Hot melt (J·mol^-1·K^-1): 200.7

4. Melting point (oC): 168

5. Boiling point (oC, normal pressure): 355-360

6. Boiling point (oC, 666Pa): 155～175

7. Refractive index: Undetermined

8. Flash point (oC): Not determined

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

19. Solubility: soluble in benzene, slightly soluble in hot ethanol, insoluble in water

Toxicological data

None

Ecological data

Molecular structure data

1. Molar refractive index: 66.22

2. Molar volume (cm³/mol): 187.0

3. Isotonic specific volume (90.2K ): 481.6

4. Surface tension (dyne/cm): 43.9

5. Polarizability (10^-24cm³): 26.25

Compute chemical data

1. Calculation of hydrophobic parametersTest value (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms :14

8. Surface charge: 0

9. Complexity: 145

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

None

Storage method

This product should be kept sealed.

Synthesis method

Obtained by bromination of biphenyl: contact biphenyl with bromine vapor for 8 hours to form an orange solid, and place it in a fume hood for more than 4 hours to obtain a crude product. The melting point is about 152℃. Recrystallize it with benzene to obtain the finished product. The yield is 75%~77%.

Purpose

Used as intermediates for dyes and organic pigments

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