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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