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Cas Database |
| Name |
2,3-Dichlorobenzoylcyanide |
EINECS | 278-747-9 |
| CAS No. | 77668-42-9 | Density | 1.446 g/cm3 |
| PSA | 40.86000 | LogP | 2.69968 |
| Solubility | N/A | Melting Point |
52-53 °C(Solv: ligroine (8032-32-4)) |
| Formula | C8H3Cl2NO | Boiling Point | 309.4 °C at 760 mmHg |
| Molecular Weight | 200.024 | Flash Point | 140.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
(2,3-Dichlorophenyl)oxoacetonitrile;2,3-Dichlorobenzoyl nitrile; |
Article Data | 11 |
2,3-Dichlorobenzoylcyanide Synthetic route
| Conditions | Yield |
|---|---|
| at 160 - 165℃; for 7h; | 94.2% |
| at 35 - 165℃; for 4h; Product distribution / selectivity; | 74% |
| With potassium iodide In chlorobenzene at 132 - 135℃; for 6h; |
| Conditions | Yield |
|---|---|
| With potassium iodide In toluene for 1h; Inert atmosphere; Reflux; | 84% |
| With cetyltrimethylammonim bromide In toluene at 110℃; for 12h; Kinetics; Reagent/catalyst; Solvent; Large scale; | 77% |
| at 160℃; for 6h; |
| Conditions | Yield |
|---|---|
| With copper(l) iodide In acetonitrile at 20℃; for 6 - 9h; | 80% |
- 2905-60-4
2,3-dichlorobenzoyl chloride
- 544-92-3
copper(I) cyanide
A
- 77668-42-9
2,3-dichlorobenzoyl cyanide
B
- 252186-80-4
2,3-dichlorobenzoic acid anhydride
| Conditions | Yield |
|---|---|
| at 35 - 165℃; for 6h; Product distribution / selectivity; | A 57% B 6.9% |
- 2905-60-4
2,3-dichlorobenzoyl chloride
- 77668-42-9
2,3-dichlorobenzoyl cyanide
| Conditions | Yield |
|---|---|
| With copper(l) cyanide at 160 - 165℃; for 6h; |
- 50-45-3
2,3-dichlorbenzoic acid
- 77668-42-9
2,3-dichlorobenzoyl cyanide
| Conditions | Yield |
|---|---|
| With thionyl chloride; mercury | |
| Multi-step reaction with 2 steps 1: thionyl chloride / 2 h / Inert atmosphere; Reflux 2: cetyltrimethylammonim bromide / toluene / 12 h / 110 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride / 6 h 2: 6 h / 160 °C View Scheme |
- 2905-60-4
2,3-dichlorobenzoyl chloride
- 143-33-9
sodium cyanide
- 544-92-3
copper(I) cyanide
A
- 77668-42-9
2,3-dichlorobenzoyl cyanide
B
- 252186-80-4
2,3-dichlorobenzoic acid anhydride
| Conditions | Yield |
|---|---|
| at 35 - 165℃; for 10h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dichlorbenzoic acid With thionyl chloride Stage #2: copper(l) cyanide |
- 773837-37-9
sodium cyanide
- 2905-60-4
2,3-dichlorobenzoyl chloride
A
- 77668-42-9
2,3-dichlorobenzoyl cyanide
B
- 252186-80-4
2,3-dichlorobenzoic acid anhydride
C
- 50-45-3
2,3-dichlorbenzoic acid
| Conditions | Yield |
|---|---|
| With copper(l) chloride In para-xylene; acetonitrile Reagent/catalyst; Solvent; |
- 77668-42-9
2,3-dichlorobenzoyl cyanide
- 2582-30-1
aminoguanidine bicarbonate
| Conditions | Yield |
|---|---|
| With methanesulfonic acid at 45℃; for 5h; Heating / reflux; | 82% |
| With methanesulfonic acid In toluene at 45℃; for 10h; Heating / reflux; | 79% |
| Stage #1: aminoguanidine bicarbonate With sulfuric acid In water at 25℃; for 0.5h; Stage #2: 2,3-dichlorobenzoyl cyanide In water at 60℃; for 6h; Stage #3: With sodium hydroxide; water at 25 - 60℃; for 1h; Product distribution / selectivity; | 76.8% |
2,3-Dichlorobenzoylcyanide Chemical Properties
Molecular Structure:
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Molecular Formula: C8H3Cl2NO
Molecular Weight: 200.0215
IUPAC Name: 2,3-Dichlorobenzoyl cyanide
Synonyms of 2,3-Dichlorobenzoyl cyanide (CAS NO.77668-42-9): EINECS 278-747-9 ; (2,3-Dichlorophenyl)oxoacetonitrile
CAS NO: 77668-42-9
Product Categories: Nitriles ; Lamotrigine
Index of Refraction: 1.579
Molar Refractivity: 45.98 cm3
Molar Volume: 138.2 cm3
Surface Tension: 52.7 dyne/cm
Density: 1.446 g/cm3
Flash Point: 140.9 °C
Enthalpy of Vaporization: 55.01 kJ/mol
Boiling Point: 309.4 °C at 760 mmHg
Vapour Pressure: 0.000643 mmHg at 25°C
2,3-Dichlorobenzoylcyanide Uses
2,3-Dichlorobenzoyl cyanide (CAS NO.77668-42-9) is used as a pharmaceutical intermediate.
2,3-Dichlorobenzoylcyanide Safety Profile
Safety Information of 2,3-Dichlorobenzoyl cyanide (CAS NO.77668-42-9):
Hazard Codes: Xi 
Hazard Note: Irritant
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