Structural formula
| Business number | 01KY |
|---|---|
| Molecular formula | C10H15OBr |
| Molecular weight | 231.13 |
| label |
3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 3-bromocamphenone, 3-bromocamphor, 3-Bromobornan-2-one, 3-Bromo-2-oxobornane, 3-Bromocamphor, 3-Bromo-2-bornanone, D-3-Bromo-2-bornanone |
Numbering system
CAS number:76-29-9
MDL number:None
EINECS number:200-950-8
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):75 -77℃
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC
Rat caliberLD50:4450mg/kg
Mouse caliberLD50:3500mg/kg
小Mouse abdominal cavityLD50:152mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 52.18
2. Molar volume (m3/mol）：169.2
3. isotonic specific volume (90.2K):417.9
4. Surface Tension (dyne/cm):37.2
5. Polarizability（10-24cm3): 20.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 246
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
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
None
Synthesis method
None
Purpose
None
lang=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial”>dyne/cm):37.2
5. Polarizability（10-24cm3): 20.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 246
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
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
None
Synthesis method
None
Purpose
None
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