4-chloro-3-nitrotoluene
structural formula
| business number | 020z |
|---|---|
| molecular formula | c7h6clno2 |
| molecular weight | 171.58 |
| label |
3-nitro-4-chlorotoluene, p-chloro-m-nitrotoluene, 1-chloro-4-methyl-2-nitrobenzene, ch3c6h3(no2)cl |
numbering system
cas number:89-60-1
mdl number:mfcd00007085
einecs number:201-922-8
rtecs number:none
brn number:511055
pubchem number:24852766
physical property data
1. properties: yellow oily liquid.
2. density (g/ml, 80/4℃): 1.297
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 7
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc,): 260℃ (99.3kpa ), 118℃ (1.47kpa),
7. refractive index: 1.5572
8. flash point (ºc): undetermined
9. specific rotation degree (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc) : undetermined
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: dissolved in alcohol, insoluble in water.
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 42.51
2. molar volume (cm3/mol): 129.5
3. isotonic specific volume (90.2k ): 336.2
4. surface tension (dyne/cm): 45.4
5. polarizability (10-24cm3): 16.85
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: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. extensionthe polar surface area of the molecule is 45.8
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 157
10. number of isotope atoms: 0
11. number of determined atomic stereocenters: 0
12. number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be stored in a sealed, cool, dry place.
synthesis method
paracetamido-m-nitrotoluene is obtained by nitration of paracetamidotoluene with mixed acid. it is obtained by replacing copper chloride with diazotide.
purpose
pharmaceutical intermediates.
