2,4-dichloro-3,5-dimethylphenol
Structural formula
| Business number | 03P4 |
|---|---|
| Molecular formula | C8H8Cl2O |
| Molecular weight | 191.06 |
| label |
dichloroxylenol, Dichloro-M-xylenol, 2,4-dichloro-1,3-xylenol, aromatic compounds |
Numbering system
CAS number:133-53-9
MDL number:MFCD00019981
EINECS number:205-109-9
RTECS number:2209273
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
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Ecological data
None yet
Molecular structure data
5. Molecular property data:
1、 Molar refractive index：47.57
2, Molar volume（m3/mol):144.3
3, Isotonic specific volume（90.2K）：369.3
4, Surface tension（3.0 dyne/cm SPAN>): 42.8
5, Polarizability（ 0.5 10-24cm3): 18.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 11
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
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Synthesis method
None yet
Purpose
None yet
; mso-font-kerning: 0pt; mso-fareast-font-family: Arial”>):18.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 11
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