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