1-Bromo-4-(trifluoromethylthio)benzene
Structural formula
| Business number | 049M |
|---|---|
| Molecular formula | C7H4BrF3S |
| Molecular weight | 257.07 |
| label |
1-Bromo-4-(trifluoromethylthio)benzene, p-Trifluoromethylthiobenzene bromide, 1-BROMO-4-(TRIFLUOROMETHYLTHIO)BENZENE, 4-(TRIFLUOROMETHYLTHIO)BROMOBENZENE, 4-BROMOPHENYL TRIFLUOROMETHYL SULFIDE, 4-BROMOPHENYL TRIFLUOROMETHYL SULPHIDE, P-BROMOPHENYL TRIFLUORO METHYLULFIDE, 4-Bromophenyl trifluoromethyl sulphide 97%, 4-Bromophenyltrifluorom |
Numbering system
CAS number:333-47-1
MDL number:MFCD00040840
EINECS number:000-000-0
RTECS number:None
BRN number:2361926
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.710
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): Not available
Boiling point (ºC, often Press): 199-200
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.5130
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 Sex: 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: 47.47
2. Molar Volume (m3/mol）：149.6
3. isotonic specific volume (90.2K):370.8
4. Surface Tension (dyne/cm):37.6
5. Polarizability(10-24cm3):18.82
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.3
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: none
6. Topological molecule polar surface area 25.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 140
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
