structural formula
| business number | 01kg |
|---|---|
| molecular formula | c2hbr3o2 |
| molecular weight | 296.74 |
| label |
tribromoacetic acid, acetic acid, tribromo-, cbr3co2h |
numbering system
cas number:75-96-7
mdl number:mfcd00004167
einecs number:200-919-9
rtecs number:none
brn number:1755150
pubchem number:24900230
physical property data
1. properties: colorless and shiny flaky crystals [1]
2. melting point: 130~133[2]
3. boiling point: 245 (decomposition) [3]
4. octanol/water partition coefficient: 1.71[4]
5. solubility: soluble in water, ethanol, ether, but insoluble in petroleum ether. [5]
toxicological data
1. acute toxicity no data available
2. irritation no data available
ecological data
1. ecotoxicity no data available
2. biodegradability no data available
3 .non-biodegradability no information available
4. other harmful effects[6] this substance is harmful to the environment and should be treated with special pay attention to water pollution.
molecular structure data
1. molar refractive index: 36.04
2. molar volume (cm3/mol): 95.7
3. isotonic specific volume (90.2k ): 285.0
4. surface tension (dyne/cm): 78.4
5. polarizability (10-24cm3): 14.28
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 83.4
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
1. stability[7] stable
2. incompatible substances[8] strong oxidants, strong alkalis
3. conditions to avoid contact[9] light
4. polymerization hazard[10] no polymerization
5. decomposition products[11] bromide
storage method
storage precautions[12] store in a cool, ventilated warehouse. keep away from fire and heat sources. the packaging is sealed. they should be stored separately from oxidants and alkalis, and avoid mixed storage. equipped with corresponding products� and quantity of fire fighting equipment. suitable materials should be available in the storage area to contain spills.
synthesis method
none
purpose
used in organic synthesis. [13]
