4-4-Fluorophenyl-3-thiosemicarbazide
Structural formula
| Business number | 0491 |
|---|---|
| Molecular formula | C7H8FN3S |
| Molecular weight | 185.22 |
| label |
4-(4-fluorobenzene)-3-thiosemicarbazide, 4-4-Fluorophenyl-3-aminothiourea, SPECS AN-689/41741342, 4-FLUOROPHENYLTHIOSEMICARBAZIDE, 4-(4-FLUOROPHENYL)THIOSEMICARBAZIDE, 4-(4-FLUOROPHENYL)-3-THIOSEMICARBAZIDE, 4-(4-Fluorophenyl)-3-thiosemicarbazide 97%, 4-(4-Fluorophenyl)-3-thiosemicarbazide97% |
Numbering system
CAS number:330-94-9
MDL number:MFCD00041294
EINECS number:None
RTECS number:None
BRN number:2804705
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 171
Boiling point (ºC, normal pressure):No Use
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
Solubility:No Use
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: 50.27
2. Molar volume (m3/mol）：130.5
3. isotonic specific volume (90.2K):376.8
4. Surface Tension (dyne/cm):69.3
5. Polarizability（10-24cm3):19.9
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.9
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 82.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 157
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
