3-Bromo-3,3-difluoropropene
Structural formula
| Business number | 04RP |
|---|---|
| Molecular formula | C3H3BrF2 |
| Molecular weight | 156.96 |
| label |
3-Bromo-3,3-difluoropropene, 3-BROMO-3,3-DIFLUOROPRO-1-PENE, 3-BROMO-3,3-DIFLUOROPROP-1-ENE, 3-BROMO-3,3-DIFLUOROPROPENE, 3,3-DIFLUORO-3-BROMOPROPENE, 1-BROMO-1,1-DIFLUOROPROP-2-ENE, 1-BROMO-1,1-DIFLUOROPROPENE, 3-Bromo-3,3-difluoroprop-1-ene 98%, 3-Bromo-3,3-difluoroprop-1-ene98% |
Numbering system
CAS number:420-90-6
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.543
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 53-54
Boiling point (ºC, normal pressure): 41-42
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.377
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:23.69
2、 Molar volume （m3/mol)：97.2
2. 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:23.69
2、 Molar volume （m3/mol)：97.2
3、 isotoconic ratio (90.2K):206.7
4、 Surface Tension （dyne/cm)：20.4
5、 Polarizability（10-24cm3 ）：9.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 59.8
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
Purpose
None yet
Arial; mso-fareast-font-family: Arial; mso-font-kerning: 0pt”>3、 Isotonic specific volume (90.2K):206.7
4、 Surface Tension （dyne/cm)：20.4
5、 Polarizability（10-24cm3 ）：9.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 59.8
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
Purpose
None yet
Number of bodies: None
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 59.8
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. No Determine the number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet