structural formula
| business number | 06gj |
|---|---|
| molecular formula | c8h9cl |
| molecular weight | 140.61 |
| label |
4-chloro-1,2-dimethylbenzene, 3,4-dimethylchlorobenzene, 4-chloro-1,2-dimethylbenzene, 3,4-dimethylchlorobenzene, (ch3)2c6h3cl |
numbering system
cas number:615-60-1
mdl number:mfcd00000596
einecs number:210-438-6
rtecs number:none
brn number:2076514
pubchem number:24848347
physical property data
1. physical property data
1. boiling point (ºc,normal pressure):221-223 °c0.1 mm hg(lit.)
2. density:1.047 g /ml at 25 °c(lit.
3. refractive index:n20/d 1.528(lit.)
4. flashpoint (ºc):152 °f
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.
molecular structure data
5. molecular property data:
1, molar refractive index:40.79
2, molar volume (m3/mol):133.9
3, isotonic specific volume (90.2k ):318.4
4, surface tension (dyne/ cm):31.9
5、 polarizability (10-24cm3)e=”font-size: 7pt; font-family: times new roman; mso-font-kerning: 0pt; mso-fareast-font-family: arial”> molar refractive index: 40.79
2, molar volume (m3/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
properties and stability:
no decomposition products may occur under normal temperatures and pressures.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet
：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
properties and stability:
no decomposition products may occur under normal temperatures and pressures.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet
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