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Basic Information
| CAS No.: | 6574-99-8 |
|---|---|
| Name: | 3,4-Dichlorobenzonitrile |
| Molecular Structure: | |
|
|
|
| Formula: | C7H3Cl2N |
| Molecular Weight: | 172.014 |
| Synonyms: | 3,4-Dichlorobenzonitrle |
| EINECS: | 229-494-8 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 74-78 °C(lit.) |
| Boiling Point: | 235.5 °C at 760 mmHg |
| Flash Point: | 95 °C |
| Solubility: | Insoluble in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn, T, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 23.79000 |
| LogP: | 2.86508 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With L-proline In N,N-dimethyl-formamide at 128℃; for 3h; Temperature; | 96.5% |
Conditions
| Conditions | Yield |
|---|---|
| With trifluoromethylsulfonic anhydride; triethylamine; triphenylphosphine In dichloromethane at 0℃; for 0.166667h; | 95% |
| With diethyl cyanophosphonate; triethylamine In dichloromethane at 20℃; for 10h; Inert atmosphere; | 84% |
| With bis(trichloromethyl) carbonate In chloroform at 20℃; | |
| With thionyl chloride In benzene Heating; | |
| With fluorosulfonyl fluoride; sodium carbonate In dimethyl sulfoxide at 20℃; for 12h; | 337 mg |
- 13014-24-9
3,4-dichloro-1-trichloromethylbenzene
- 6574-99-8
3,4-dichloro-benzonitrile
Conditions
| Conditions | Yield |
|---|---|
| With copper; ammonium chloride at 120 - 220℃; for 20h; Temperature; Reagent/catalyst; Green chemistry; | 94.6% |
Conditions
| Conditions | Yield |
|---|---|
| With thionyl chloride In chlorobenzene for 15h; Heating; | 93% |
- 21719-62-0
3.4-Dichlorbenzaldehyd-phenylhydrazon
A
- 7684-30-2
N,N-dimethyl-N'-phenylcarbamimidic chloride
B
- 6574-99-8
3,4-dichloro-benzonitrile
Conditions
| Conditions | Yield |
|---|---|
| With dichloromethylenedimethyliminium chloride In 1,2-dichloro-ethane 1.) room temp., 1 h, 2.) reflux, 4 h; | A n/a B 90% |
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydroxide; nickel copper formate; (Bu4N)2S2O8 In 1,2-dichloro-ethane at 20℃; for 13h; Oxidation; | 90% |
| With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 2250.23 Torr; for 15h; Autoclave; Green chemistry; | 96 %Chromat. |
| With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 1500.15 Torr; Autoclave; Green chemistry; | 96 %Chromat. |
| With ammonia; oxygen; silica gel; 11-pyridino[3,2-h]quinoxalino[2,3-f]quinolin-11-ylpyridino[3,2-h]quinoxalino[2,3-f]quinoline In tert-Amyl alcohol; N,N-dimethyl-formamide at 120 - 800℃; under 1500.15 Torr; for 16h; Sonication; Inert atmosphere; Calcination; | 62.74 %Chromat. |
Conditions
| Conditions | Yield |
|---|---|
| With phthalic anhydride; hydroxylamine hydrochloride; triethylamine for 0.05h; Reduction; Irradiation; | 90% |
| With aluminum oxide; hydroxylamine hydrochloride; di(n-butyl)tin oxide for 0.0833333h; microwave irradiation; | 90% |
| With acetic acid; hydroxylamine-O-sulfonic acid In water at 50℃; for 6h; | 89% |
Conditions
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; TEMPOL; ammonia; copper(l) chloride In water; acetonitrile at 20℃; for 24h; | 75% |
Conditions
| Conditions | Yield |
|---|---|
| With bismuth(III) vanadate; ammonia at 440℃; under 760.051 Torr; Catalytic behavior; Temperature; | 73.1% |
| With ammonia at 380℃; Reagent/catalyst; Flow reactor; | 72.5% |
| With vanadyl pyrophosphate; ammonia; water; oxygen at 414.84℃; | 55% |
| With ammonia; oxygen; DC-108 at 425℃; Yield given; |
- 6574-99-8
3,4-dichloro-benzonitrile
Conditions
| Conditions | Yield |
|---|---|
| With copper(l) iodide In dimethyl sulfoxide at 90℃; for 12h; | 73% |
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3,4-Dichlorobenzonitrile
Chemistry
The molecular formula of 3,4-Dichlorobenzonitrile(6574-99-8) is C7H3Cl2N and its formula weight is 172.01.
3,4-Dichlorobenzonitrile(6574-99-8) has a melting point of 74-78 °C(lit.).
The chemical synonyms of 3,4-Dichlorobenzonitrile(6574-99-8) are Benzonitrile, 3,4-dichloro-;BUTTPARK 87\02-72;3,4-DICHLOROBENZONITRILE;3,4-Dichlorobenzonitrle;3,4-Dichlorbenzonitril;3,4-Dichlorobenzonitrile 97%;3,4-DICHLOROBENZONITRILE HPLC99%;3,4-Dichlorobenzonitrile ,99%
The molecular structure of 3,4-Dichlorobenzonitrile(6574-99-8):
3,4-Dichlorobenzonitrile(6574-99-8) has a melting point of 74-78 °C(lit.).
The chemical synonyms of 3,4-Dichlorobenzonitrile(6574-99-8) are Benzonitrile, 3,4-dichloro-;BUTTPARK 87\02-72;3,4-DICHLOROBENZONITRILE;3,4-Dichlorobenzonitrle;3,4-Dichlorbenzonitril;3,4-Dichlorobenzonitrile 97%;3,4-DICHLOROBENZONITRILE HPLC99%;3,4-Dichlorobenzonitrile ,99%
The molecular structure of 3,4-Dichlorobenzonitrile(6574-99-8):
Safety Profile
Hazard Codes Xn,T,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36
RIDADR 3276
WGK Germany 2
Hazard Note Irritant/Toxic
HazardClass 6.1
PackingGroup III
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36
RIDADR 3276
WGK Germany 2
Hazard Note Irritant/Toxic
HazardClass 6.1
PackingGroup III
Specification
Combustion Products
Fire may produce irritating, corrosive and/or toxic gases.
Fire may produce irritating, corrosive and/or toxic gases.