Structural formula
Business number | 02M2 |
---|---|
Molecular formula | C9H11Cl |
Molecular weight | 154.64 |
label |
1-(Chloromethyl)-3,4-dimethylbenzene, 1-(Chloromethyl)-3,4-dimethylbenzene |
Numbering system
CAS number:102-46-5
MDL number:MFCD00000910
EINECS number:203-032-5
RTECS number:None
BRN number:None
PubChem number:24893459
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 25℃): 1.056
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC , 24mmHg): 116-117
7. Refractive index: 1.54
8. Flash point (ºC): Undetermined
9. Specific rotation ( º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17 . Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
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Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 45.66
2. Molar volume (cm3/mol): 149.6
3. Isotonic specific volume (90.2K ): 357.8
4. Surface tension (dyne/cm): 32.6
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 18.10
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 101
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
�Quality and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet