o-chloroacetanilide o-chloroacetanilide
structural formula
| business number | 026p |
|---|---|
| molecular formula | c10h10clno2 |
| molecular weight | 211.64 |
| label |
2-chloro-n-acetoacetanilide, n-(2-chlorophenyl)-3-oxobutanamide, n-acetoacetyl o-chloroaniline, o-aetoacetochloranilide, n-(2-chlorophenyl)-3-oxo-butaneamid, aromatic nitrogen-containing compounds and their derivatives |
numbering system
cas number:93-70-9
mdl number:mfcd00018224
einecs number:202-269-1
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. properties: white crystalline powder. its chemical activity is quite similar to ethyl acetoacetate and is non-flammable.
2. density (g/ml, 25/4℃): 1.438
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 107
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): 177 (open cup)
9. specific rotation (º): undetermined determined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 20ºc): 1.33×10-2kpa
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: soluble in alcohol, insoluble in water and ether.
toxicological data
low toxicity.
ecological data
none yet
molecular structure data
1. molar refractive index: 54.71
2. molar volume (cm3/mol): 164.6
3. isotonic specific volume (90.2k ): 431.5
4. surface tension (dyne/cm): 47.2
5. polarizability (10-24cm3): 21.69
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 3
5. number of tautomers: 8
6. topological molecule polar surface area 46.2
7 .number of heavy atoms: 14
8. surface charge: 0
9. complexity: 230
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
low toxicity.
storage method
this product should be sealed and stored in a cool, dry place.
packaged in round iron drums lined with plastic bags, with a net weight of 30kg per drum. store in a ventilated and dry place. protect from light, sun and moisture. store and transport according to general chemical regulations.
synthesis method
originated from the reaction of o-chloroaniline and diketene. the reaction is carried out in ethanol medium, and the fine product is obtained by condensation at 25-30°c, which is then filtered, washed, and dried to obtain the finished product. this product can also be obtained by dissolving o-chloroaniline in benzene and adding ethyl acetoacetate dropwise. raw material consumption quota: o-chloroaniline (99%) 625kg/t, diketene (96%) 414kg/t, alcohol (95%) 200kg/t.
purpose
used as a dye intermediate for the production of pigment yellow 10g, pigment yellow gp, and the production of dye intermediates 1-(2-chlorophenyl)3-methyl-5-pyrazolinone, etc., and can also be further used produces neutral dyes, such as neutral bright yellow 3gl, neutral dark brown brl, neutral orange rl, etc.
