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Cas Database |
| Name |
3-Chloro-4-fluorobenzonitrile |
EINECS | -0 |
| CAS No. | 117482-84-5 | Density | 1.33 g/cm3 |
| PSA | 23.79000 | LogP | 2.35078 |
| Solubility | N/A | Melting Point |
69-71 °C(lit.) |
| Formula | C7H3ClFN | Boiling Point | 213.6 °C at 760 mmHg |
| Molecular Weight | 155.559 | Flash Point | 83 °C |
| Transport Information | N/A | Appearance | Slightly yellow crystalline powder |
| Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
3-chloro-4-fluoro-benzonitrile; |
Article Data | 11 |
3-Chloro-4-fluorobenzonitrile Synthetic route
| Conditions | Yield |
|---|---|
| With potassium fluoride In water; dimethyl sulfoxide | 92% |
- 34328-61-5
3-Chloro-4-fluorobenzaldehyde
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; zinc(II) oxide for 0.0166667h; Microwave irradiation; neat (no solvent); | 91% |
| With hydroxylamine hydrochloride; toluene-4-sulfonic acid for 0.0111111h; Microwave irradiation; | 85% |
- 130560-97-3
3-chloro-4-fluoro-thiobenzamide
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With methylene blue; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 25℃; Sealed tube; Irradiation; | 89% |
- 6574-99-8
3,4-dichloro-benzonitrile
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With fluorosulfonyl fluoride; tetramethylammonium 2,6-dimethylphenoxide In N,N-dimethyl-formamide at 20℃; for 24h; Sealed tube; | 85% |
| With tetrabutyl ammonium fluoride In dimethyl sulfoxide at 20℃; for 0.333333h; | |
| With potassium fluoride In cyclohexane; water at 130℃; for 3h; Solvent; Temperature; |
- 705-79-3
2-(3-chloro-4-fluorophenyl)acetic acid
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With oxygen; copper(II) trifluoroacetate; urea In dimethyl sulfoxide at 110℃; for 24.5h; Green chemistry; | 82% |
- 6574-99-8
3,4-dichloro-benzonitrile
A
- 64248-62-0
3,4-Difluorobenzonitrile
B
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium fluoride In various solvent(s) at 225℃; for 6h; | A 11% B 78% |
| With potassium fluoride In various solvent(s) at 225℃; for 6h; Product distribution; variation of solvent, temperature, concentration of reagent and catalyst, also without catalyst and with pressure; | A 65 % Chromat. B 23 % Chromat. |
- 1123-98-4
2-fluoro-1,3-benzothiazole
A
- 117482-84-5
3-chloro-4-fluorobenzonitrile
B
- 4846-47-3
1-(2-benzothiazolyl)benzothiazolone
| Conditions | Yield |
|---|---|
| With bis[1,2-bis(diphenylphosphino)benzene]hydriderhodium(I) In chlorobenzene for 3h; Inert atmosphere; Reflux; |
- 117482-84-5
3-chloro-4-fluorobenzonitrile
- 142769-36-6
1-benzyl-1H-indol-5-ol
- 161460-39-5
4-[(1-benzyl-1H-indol-5-yl)oxy]-3-chlorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 6h; Substitution; | 100% |
- 120-72-9
indole
- 117482-84-5
3-chloro-4-fluorobenzonitrile
- 930572-44-4
3-chloro-4-(1H-indol-1-yl)benzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.0833333h; Stage #2: 3-chloro-4-fluorobenzonitrile at 45℃; for 1.5h; | 100% |
| Stage #1: indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.0833333h; Stage #2: 3-chloro-4-fluorobenzonitrile In N,N-dimethyl-formamide at 45℃; for 1.5h; | 100% |
- 117482-84-5
3-chloro-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: tert-butyl (13-(4-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)phenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl)carbamate With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 3-chloro-4-fluorobenzonitrile In N,N-dimethyl-formamide at 20℃; | 97% |
3-Chloro-4-fluorobenzonitrile Chemical Properties
IUPAC Name:3-chloro-4-fluorobenzonitrile
Molecular Formula:C7H3ClFN
Molecular Weight:155.556823 g/mol
Appearance:Yellow crystals
Melting Point:69-71 °C(lit.)
Boiling Point:135 °C / 65mmHg
BRN:4740501
CAS DataBase Reference:117482-84-5(CAS DataBase Reference)
NIST Chemistry Reference:117482-84-5(NIST) Synonyms of 3-Chloro-4-Fluoro benzonitrile(117482-84-5):
3-CHLORO-4-FLUOROBENZONITRILE;3-Chloro-4-fluorobenzonitrile 99%;3-Chloro-4-fluorobenzonitrile99%;3-Chloro-4-fluorobenzonitrile, 98+%
Categories of 3-Chloro-4-Fluoro benzonitrile(117482-84-5):
FINE Chemical & INTERMEDIATES;Aromatic Nitriles;Fluorobenzene;Nitrile;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
3-Chloro-4-fluorobenzonitrile Uses
3-Chloro-4-Fluoro benzonitrile(117482-84-5) is used as intermediates of medicine, pesticide, liquid crystal materials.
3-Chloro-4-fluorobenzonitrile Safety Profile
Safety Information of 3-Chloro-4-Fluoro benzonitrile(117482-84-5):
Hazard Codes:Xn,Xi 
,T 
Risk Statements:20/21/22-36/37/38
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-37/39-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable gloves and eye/face protection
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR:3439
WGK Germany:3
Hazard Note:Toxic
HazardClass:6.1
PackingGroup:III
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