Structural formula
Business number | 04H6 |
---|---|
Molecular formula | C5H3F3N2OS |
Molecular weight | 196.15 |
label |
Heterocyclic compounds |
Numbering system
CAS number:368-54-7
MDL number:MFCD00112978
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24879234
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): 246-250
Boiling point (ºC, normal pressure): Not available
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:37.47
2. Molar volume (m3/mol):120.4
3. Isotonic specific volume (90.2K): 316.2
4. Surface tension (dyne/cm): 47.5
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:37.47
2. Molar volume (m3/mol):120.4
3. Isotonic specific volume (90.2K): 316.2
4. Surface tension (dyne/cm): 47.5
5. Polarizability(10 -24cm3):14.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 73.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 270
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
: 0cm 0cm 0pt 72.75pt; TEXT-INDENT: -54.75pt; TEXT-ALIGN: left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin -bottom-alt: auto” align=left>5. Polarizability(10-24cm3):14.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 73.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 270
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