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| CAS No.: | 13831-31-7 |
|---|---|
| Name: | Acetoxyacetyl chloride |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5ClO3 |
| Molecular Weight: | 136.535 |
| Synonyms: | Acetylchloride, (acetyloxy)- (9CI);Glycoloyl chloride, acetate (6CI,8CI);(Acetyloxy)acetyl chloride;2-Acetoxyacetyl chloride;2-Chloro-2-oxoethylacetate;Acetic acid (chlorocarbonyl)methyl ester;Acetylchloride, 2-(acetyloxy)-;a-Acetoxyacetyl chloride; |
| EINECS: | 237-542-4 |
| Density: | 1.281 g/cm3 |
| Melting Point: | 159-160 °C |
| Boiling Point: | 163.7 °C at 760 mmHg |
| Flash Point: | 62.5 °C |
| Solubility: | Reacts with water violently. |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34-36/37 |
| Safety: | 23-26-27-36/37/39-45-8 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 43.37000 |
| LogP: | 0.31490 |
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- 13831-30-6
acetoxyacetic acid
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; acetyl chloride for 1.3h; Heating; | 77.5% |
| With phosphorus trichloride | |
| With thionyl chloride; acetyl chloride |
| Conditions | Yield |
|---|---|
| With pyridine Behandeln des vom Acetylchlorid befreiten Reaktionsgemisches mit Thionylchlorid und wenig Pyridin; | |
| (i), (ii) PCl3; Multistep reaction; | |
| (i), (ii) SOCl2; Multistep reaction; | |
| With thionyl chloride |
| Conditions | Yield |
|---|---|
| (i) H2SO4, (ii) SOCl2; Multistep reaction; |
- 180048-73-1
2-hydroxy-2-methyl-1-(4-(methylsulfonyl)-phenyl)propan-1-one
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| With triethylamine In ethyl acetate at 0 - 20℃; Solvent; | 100% |
| With dmap; triethylamine In dichloromethane at 0℃; | 99.5% |
| With pyridine In acetonitrile | |
| With triethylamine In dichloromethane at 20℃; for 3h; Solvent; Reagent/catalyst; | 207 g |
| With triethylamine In dichloromethane at 20℃; for 4h; Solvent; Reagent/catalyst; | 220 g |
- 615-36-1
2-bromoaniline
- 13831-31-7
Acetoxyacetyl chloride
- 901335-15-7
acetic acid (2-bromo-phenylcarbamoyl)-methyl ester
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane for 2h; | 100% |
| With pyridine In dichloromethane at 20℃; for 2h; |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane for 2h; | 100% |
- 367-24-8
4-bromo-2-fluoroaniline
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| In chloroform at 20℃; for 0.5h; Inert atmosphere; | 100% |
| In chloroform at 20℃; Inert atmosphere; | 100% |
| With potassium carbonate In chloroform | 75% |
| In chloroform at 20℃; for 0.5h; Inert atmosphere; |
- 653600-07-8
(cis)-3-(4-fluoro-phenoxy)-8-aza-bicyclo[3.2.1]octane
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 2h; | 100% |
- 862682-63-1
2-[4-(piperazin-1-yl)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 18 - 25℃; for 1.25h; | 100% |
- 417727-43-6
3-(4-fluoro-benzyl)-3,8-diaza-bicyclo[3.2.1]octane
- 13831-31-7
Acetoxyacetyl chloride
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 100% |
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Chemistry
Structure of Acetoxyacetyl chloride (CAS NO.13831-31-7):
IUPAC Name: (2-chloro-2-oxoethyl) acetate
Empirical Formula: C4H5ClO3
Molecular Weight: 136.5337
EINECS: 237-542-4
Index of Refraction: 1.424
Molar Refractivity: 27.23 cm3
Molar Volume: 106.5 cm3
Polarizability: 10.79×10-24cm3
Surface Tension: 35.2 dyne/cm
Density: 1.281 g/cm3
Flash Point: 62.5 °C
Enthalpy of Vaporization: 40.03 kJ/mol
Boiling Point: 163.7 °C at 760 mmHg
Vapour Pressure: 2.04 mmHg at 25°C
Physical Appearance: Clear colorless to pale yellow liquid
Product Categories: Biochemistry;Reagents for Oligosaccharide Synthesis;Acid Halides;Carbonyl Compounds;Organic Building Blocks
Synonyms of Acetoxyacetyl chloride (CAS NO.13831-31-7): 2-Chloro-2-oxoethyl acetate ; Acetyl chloride, 2-(acetyloxy) ; 2-Acetoxyacetyl chloride .
Canonical SMILES: CC(=O)OCC(=O)Cl
InChI: InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChIKey: HZDNNJABYXNPPV-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
C
Risk Statements: 14-34-36/37
R14 :Reacts violently with water.
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 23-26-27-36/37/39-45-8
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S8:Keep container dry.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II