Structural formula
| Business number | 029N |
|---|---|
| Molecular formula | C8H9Cl |
| Molecular weight | 140.61 |
| label |
2-Chlorine counterstubble, 2-Chloro-p-xylene, 2-Chloro-1,4-dimethylbenzene, 2,5-Dimethylchlorobenzene, 2-Chloro-1,4-dimethylbenzene, (CH3)2C6H3Cl |
Numbering system
CAS number:95-72-7
MDL number:MFCD00000564
EINECS number:202-444-2
RTECS number:None
BRN number:2040349
PubChem number:24856134
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 40.79
2. Molar volume (cm3/mol): 133.9
3. Isotonic specific volume (90.2K ): 318.4
4. Surface tension (dyne/cm): 31.9
5. Polarizability (10-24cm3): 16.17
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 90.6
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
