3,4,6-trichloro-2-nitrophenol 3,4,6-trichloro-2-nitrophenol
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