1,1-dibromo-3,3,3-trifluoroacetone structural formula

1,1-dibromo-3,3,3-trifluoroacetone structural formula

Structural formula

Business number 04T2
Molecular formula C3HBr2F3O
Molecular weight 269.85




1,1-Dibromo-3,3,3-trifluoroacetone 97%,



Numbering system

CAS number:431-67-4

MDL number:MFCD00041362

EINECS number:None

RTECS number:None

BRN number:636645

PubChem ID:None

Physical property data

一 , physical property data

Traits :Light red liquid

Density (g/mL,25/4): Not available

Relative Vapor density (g/mL, air=1)Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 111

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

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

Dissolve Properties: 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:31.85

2 Molar volumem3/mol)118.3

3 , Isotonic specific volume (90.2K):281.8

4 Surface tensiondyne/cm)32.2

5 Polarizability(10-24cm312.62

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

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: 9

8. Surface charge: 0

9. Complexity: 119

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


None yet


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