α-Bromostyene α-Bromostyene
Structural formula
| Business number | 02EK |
|---|---|
| Molecular formula | C8H7Br |
| Molecular weight | 183.05 |
| label |
C6H5C(Br)=CH2 |
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
