α-Bromostyene α-Bromostyene

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:98-81-7

MDL number:MFCD00012229

EINECS number:202-702-4

RTECS number:WL3840000

BRN number:None

PubChem number:24857575

Physical property data

1. Properties: Undetermined

2. Density (g/mL, 25℃): 1.410

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

4. Melting point (ºC): −44

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

6. Boiling point (ºC , 4mmHg): 67-70

7. Refractive index: 1.588

8. Flash point (ºC): Undetermined

9. Specific rotation ( º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 40ºC): Not determined

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

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

14. Critical temperature (ºC): Undetermined Determined

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: Undetermined

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Toxicological data

Acute toxicity: mouse peritoneal cavity LD50: 203mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 43.55

2. Molar volume (cm³/mol): 131.9

3. Isotonic specific volume (90.2K ): 324.7

4. Surface tension (dyne/cm): 36.7

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.2

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: 9

8. Surface charge: 0

9. Complexity: 101

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet