3-bromo-1,1,1-trifluoroacetone

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:431-35-6

mdl number:mfcd00039237

einecs number:207-071-9

rtecs number:none

brn number:1703387

pubchem number:24851140

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 1.839

relative vapor density (g/ml, air=1)：not available

melting point (ºc):87

boiling point (ºc, normal pressure): not available

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.376

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

solubility:not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1、 molar refractive index:24.16

2、 molar volume（m³/mol)：104.7

3、 isotonic specific volume (90.2k):232.3

4、 surface tension（dyne/cm)：24.1

5、 polarizability(10^-24cm³）：9.58

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 97.2

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

storage method

none

synthesis method

none

purpose

none

resource:allhdi.com