Structural formula
| Business number | 01T1 |
|---|---|
| Molecular formula | C6H2Cl3NO3 |
| Molecular weight | 242.44 |
| label |
2-nitro-3,4,6-trichlorophenol, 2-Nitro-3,4,6-trichlorophenol |
Numbering system
CAS number:82-62-2
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
Acute toxicity:
Mouse veinLD50:56mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 49.36
2. Molar volume (m3/mol）：135.5
3. isotonic specific volume (90.2K):385.3
4. Surface Tension (dyne/cm):65.3
5. Polarizability（10-24cm3):19.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 4
6. Topological molecule polar surface area 66
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 210
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
w Roman'”> Molar refractive index:49.36
2. Molar volume (m3/mol）：135.5
3. isotonic specific volume (90.2K):385.3
4. Surface Tension (dyne/cm):65.3
5. Polarizability（10-24cm3):19.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 4
6. Topological molecule polar surface area 66
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 210
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
