3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid
Structural formula
| Business number | 04AE |
|---|---|
| Molecular formula | C5H7F3O3 |
| Molecular weight | 172.10 |
| label |
4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid, 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid, 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID, 3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID, 4,4,4-TRIFLUORO-3-HYDROXY-3-METHYLBUTYRIC ACID, 3-(TRIFLUOROMETHYL)-3-HYDROXYBUTYRIC ACID, 3-Hydroxy-4,4,4-trifluoroisovaleric acid~4,4,4-Trifluoro-3-hydroxy-3-methylbu |
Numbering system
CAS number:338-03-4
MDL number:MFCD00039531
EINECS number:000-000-0
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.3880
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure):87-90
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.3880
Flash Point (ºC): 87-90
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: 28.73
2. Molar Volume (m3/mol）：119.6
3. isotonic specific volume (90.2K):288.3
4. Surface Tension (dyne/cm):33.7
5. Polarizability(10-24cm3):11.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 57.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 165
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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