3-Chloro-4-fluorobenzonitrile supplier

Name
3-Chloro-4-fluorobenzonitrile
EINECS -0
CAS No. 117482-84-5
Article Data11
CAS DataBase
Density 1.33 g/cm³
Solubility
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
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;
PSA 23.79000
LogP 2.35078

Synthetic route

(N,N-dimethylimidazolidino)tris-(diethylamino)phosphazenium chloride: (N,N-dimethylimidazolidino)tris-(diethylamino)phosphazenium chloride

: 6574-99-8
3,4-dichloro-benzonitrile

: 117482-84-5
3-chloro-4-fluorobenzonitrile

Conditions

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

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

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

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

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

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.

: C14H7ClN2OS

: 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

Conditions	Yield
With bis[1,2-bis(diphenylphosphino)benzene]hydriderhodium(I) In chlorobenzene for 3h; Inert atmosphere; Reflux;

...Expand

: 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

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

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%

: tert-butyl (13-(4-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)phenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl)carbamate

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: tert-butyl (13-(4-((1-(2-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)phenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl)carbamate

Conditions

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%

: 6168-72-5
2-Amino-1-propanol

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 864297-00-7
3-chloro-4-(2-hydroxy-1-methyl-ethylamino)-benzonitrile

Conditions

Conditions	Yield
In dimethyl sulfoxide at 60℃; for 2h;	96%
In dimethyl sulfoxide at 60℃; for 2h;	96%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 67-63-0
isopropyl alcohol

: 916596-04-8
3-chloro-4-isopropoxybenzonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at -10 - 10℃; for 3h;	95%
With sodium hydride
With sodium hydride In tetrahydrofuran at -10 - 10℃; for 2h;

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 170147-32-7
ethyl 5-hydroxy-2,3-dihydroindole-1-carboxylate

: 170148-05-7
ethyl 5-(2-chloro-4-cyanophenoxy)indoline-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h;	94%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 765-38-8
2-methyl-1-pyrrolidine

: 864296-26-4
3-chloro-4-(2-methyl-pyrrolidin-1-yl)-benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 90℃; for 60h;	94%
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 90℃; for 60h;	94%

: 107-10-8
propylamine

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 917388-71-7
3-chloro-4-(propylamino)benzonitrile

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃;	94%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 150-76-5
4-methoxy-phenol

: 3-chloro-4-(4-methoxyphenoxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Inert atmosphere; Reflux;	94%

: 6766-82-1
4-n-propylsyringol

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 1240613-84-6
3-chloro-4-(2,6-dimethoxy-4-propylphenoxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 100℃; for 12h; Inert atmosphere;	93%

: 69478-75-7, 108138-38-1, 132883-44-4, 132958-72-6
dimethyl-pyrrolidin-3-yl-amine

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 864297-30-3
3-chloro-4-(3-dimethylamino-pyrrolidin-1-yl)-benzonitrile

Conditions

Conditions	Yield
With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 3.5h;	92%
With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 3.5h;	92%

: 1196452-56-8
(1R,2S)-2-amino-1-(6-methoxypyridin-3-yl)propan-1-ol

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 4-((1R,2S)-2-amino-1-(6-methoxypyridin-3-yl)propoxy)-3-chlorobenzonitrile

Conditions

Conditions	Yield
Stage #1: (1R,2S)-2-amino-1-(6-methoxypyridin-3-yl)propan-1-ol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 18 - 25℃; for 0.5h; Inert atmosphere; Stage #2: 3-chloro-4-fluorobenzonitrile In N,N-dimethyl-formamide; mineral oil at 18 - 25℃; Inert atmosphere;	92%

: 1247018-10-5
[N-(2-aminoethyl)-N-{N-(2-pyrimidinyl)-piperidin-4-ylmethyl}]-1-methyl-1H-imidazole-4-sulfonamide

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 1247018-12-7
[N-{2-(2-chloro-4-cyanophenyl)-aminoethyl}-N-{N-(2-pyrimidinyl)-piperidin-4-ylmethyl}]-1-methyl-1H-imidazole-4-sulfonamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 120℃; for 48h; Inert atmosphere;	91%

: 123-08-0
4-hydroxy-benzaldehyde

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 676494-58-9
3-chloro-4-(4-formylphenoxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere;	91%
With potassium carbonate In N,N-dimethyl-formamide for 2h; Heating;	84%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 4403-69-4
2-amino-1-benzylamine

: C14H10ClFN2

Conditions

Conditions	Yield
With copper(II) cinnamic acid complex In toluene at 110℃; Green chemistry;	91%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 5188-07-8
sodium thiomethoxide

: 189628-36-2
3-chloro-4-methylsulfanylbenzonitrile

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃;	90%
In N,N-dimethyl-formamide at 80℃; for 18h;

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 122-37-2
4-anilinophenol

: 158769-75-6
4-(4-anilinophenoxy)-3-chlorobenznitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h;	90%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 61903-11-5
N-acetylhomopiperizine

: 864296-08-2
4-(4-N-acetyl-[1,4]diazepan-1-yl)-3-chloro-benzonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 90℃; for 6h;	90%
With N-ethyl-N,N-diisopropylamine at 90℃; for 6h;	90%

: (S)-1-(5-bromo-2-methoxyphenyl)ethanamine hydrochloride

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: (S)-4-((1-(5-bromo-2-methoxyphenyl)ethyl)amino)-3-chlorobenzonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 120℃; for 16h;	90%

: 75178-96-0
N-Boc-1,3-diaminopropane

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 864296-50-4
4-(3-tert-butoxycarbonylamino-propyl-amino)-3-chloro-benzonitrile

Conditions

Conditions	Yield
With 4-methyl-morpholine In DMF (N,N-dimethyl-formamide) at 20 - 105℃; for 3.83333h;	89%
With 4-methyl-morpholine In DMF (N,N-dimethyl-formamide) at 20 - 105℃; for 3.83333h;	89%

: 121-33-5
vanillin

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 1055361-86-8
4-(4-formyl-2-methoxyphenoxy)-3-chlorobenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 95℃; for 5h;	89%
With lithium carbonate In dimethyl sulfoxide at 100℃; for 16h;	80%

: 1189140-61-1
4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazole

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 1189135-53-2
3-chloro-4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile

Conditions

Conditions	Yield
Stage #1: 4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: 3-chloro-4-fluorobenzonitrile In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 20h;	89%

: 1260535-94-1
4-Chloro-3-isopropyl-1H-pyrazolo[3,4-b]pyridine

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 1260538-98-4
3-Chloro-4-{4-chloro-3-isopropyl-1H-pyrazolo[3,4-b]pyridin-1-yl}benzonitrile

Conditions

Conditions	Yield
Stage #1: 4-Chloro-3-isopropyl-1H-pyrazolo[3,4-b]pyridine With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: 3-chloro-4-fluorobenzonitrile In N,N-dimethyl-formamide; mineral oil at 60℃; for 1h;	85%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 4403-69-4
2-amino-1-benzylamine

: C14H8ClFN2

Conditions

Conditions	Yield
With copper(II) cinnamic acid complex; oxygen In toluene at 110℃; Green chemistry;	84%

: 117482-84-5
3-chloro-4-fluorobenzonitrile

: 885963-77-9
3-chloro-4-fluoro-N'-hydroxybenzenecarboximidamide

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium carbonate In ethanol; water at 70℃; for 8h;	82.5%
With hydroxylamine hydrochloride; triethylamine In ethanol at 50℃; for 13h;	74%
With hydroxylamine hydrochloride; sodium carbonate In ethanol; water for 8h; Reflux;	69%

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

Product Name

3-Chloro-4-fluorobenzonitrile

Synthetic route

3-Chloro-4-fluorobenzonitrile Chemical Properties

3-Chloro-4-fluorobenzonitrile Uses

3-Chloro-4-fluorobenzonitrile Safety Profile

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