3-Chloro-4-fluorobenzaldehyde supplier

Name
3-Chloro-4-fluorobenzaldehyde
EINECS -0
CAS No. 34328-61-5
Article Data7
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point 28-30 °C(lit.)
Formula C₇H₄ClFO
Boiling Point 220.5 °C at 760 mmHg
Molecular Weight 158.56
Flash Point 87.1 °C
Transport Information
Appearance colorless to light yellow liqiud
Safety 26-28-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-3-chlorobenzaldehyde;
PSA 17.07000
LogP 2.29160

Synthetic route

: 1012868-70-0
potassium (2-fluoro-5-formyl)phenyltrifluoroborate

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With trichloroisocyanuric acid In water; ethyl acetate at 20℃; for 0.666667h; Open flask;	80%

: 6287-38-3
3,4-dichlorobenzaldehyde

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether; tetraphenylphosphonium bromide at 230℃; for 2h;	66%
With potassium fluoride	66%
With potassium fluoride In sulfolane at 220℃; for 12h;	98 % Turnov.

: 367-21-5
3-chloro-4-fluorophenylamine

: 75-17-2
formaldoxime

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

Conditions

Conditions	Yield
(i) NaNO2, HCl, NaOAc, (ii) /BRN= 1697325/, CuSO4, Na2SO3, (iii) aq. HCl; Multistep reaction;

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 94-09-7
p-aminoethylbenzoate

: 1343459-28-8
4-[(3-chloro-4-fluoro-benzylidene)-amino]-benzoic acid ethyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 12h; Reflux;	100%
toluene-4-sulfonic acid In toluene for 12h; Reflux;	100%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 18645-88-0
3-fluorobenzene-1,2-diamine

: C14H9ClF2N2

Conditions

Conditions	Yield
With C23H3BF16N2O In toluene at 25℃; for 3h; Green chemistry;	100%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 124-40-3
dimethyl amine

: 64519-09-1
3-chloro-4-(dimethylamino)benzaldehyde

Conditions

Conditions	Yield
In tetrahydrofuran at 90℃; for 36h;	99%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 141-97-9
ethyl acetoacetate

: 126-81-8
dimedone

: 1310825-77-4
ethyl 4-(3-chloro-4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxoquinoline-3-carboxylate

Conditions

Conditions	Yield
With ammonium acetate In acetonitrile at 20℃; for 0.0333333h; Hantzsch pyridine synthesis;	98%

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

: C13H11Cl2FN2

Conditions

Conditions	Yield
Stage #1: 3-Chloro-4-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;	96.7%

: 141-82-2
malonic acid

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 155814-22-5
(E)-3-(3-chloro-4-fluorophenyl)acrylic acid

Conditions

Conditions	Yield
With piperidine for 4h; Reagent/catalyst; Temperature; Knoevenagel Condensation; Reflux; diastereoselective reaction;	96%
With piperidine; pyridine at 70℃; Knoevenagel reaction;

: 2935-90-2
Methyl 3-mercaptopropionate

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 341497-56-1
3-(2-chloro-4-formyl-phenylsulfanyl)-propionic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;	95%

: 3615-56-3
D-Sorbose

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: bis(3-chloro-4-fluorobenzylidene) sorbitol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol; cyclohexane; water	95%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 6-isopropyl-N-propyloctahydro-1H-isoindol-4-amine

: 2-(3-chloro-4-fluorobenzyl)-6-isopropyl-N-propyloctahydro-1H-isoindol-4-amine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 1h; Inert atmosphere;	95%

: 288-32-4
1H-imidazole

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 870837-48-2
3-chloro-4-(1H-imidazol-1-yl)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate; copper(II) oxide In N,N-dimethyl-formamide at 120℃; for 2h;	94%
With potassium carbonate In N,N-dimethyl-formamide at 80℃;

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 66108-30-3
2-hydroxy-5-methyl-3-nitroacetophenone

A: 372102-30-2
N-(3-{(E)-3-[4-(benzyloxy)-3-bromophenyl]-2-propenoyl}-2-hydroxy-5-methylphenyl)acetamide

B: 372102-60-8
(E)-3-(3-chloro-4-fluorophenyl)-1-(2-hydroxy-5-methyl-3-nitrophenyl)-2-propen-1-one

Conditions

Conditions	Yield
	A 94% B n/a

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 1099-45-2
ethyl (triphenylphosphoranylidene)acetate

: 1338684-12-0
ethyl (2E)-3-(3-chloro-4-fluorophenyl)acrylate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	94%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 55338-73-3
5-amino-2-cyanopyridine

: 1353971-09-1
5-[(3-chloro-4-fluoro-benzylidene)-amino]-pyridine-2-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 12h; Reflux;	93.6%
With toluene-4-sulfonic acid In toluene for 12h; Reflux;	93.6%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 95-54-5
1,2-diamino-benzene

: C14H10ClFN2

Conditions

Conditions	Yield
With C23H3BF16N2O In toluene at 25℃; for 3h; Green chemistry;	93%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 99-99-0
1-methyl-4-nitrobenzene

: 122-52-1
triethyl phosphite

: diethyl (3-chloro-4-fluorophenyl)(p-tolylamino)methylphosphonate

Conditions

Conditions	Yield
With hydrogenchloride; indium In water at 20℃; for 0.833333h;	92%

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 93209-97-3
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

: 122-52-1
triethyl phosphite

: diethyl (3-chloro-4-fluorophenyl)[4-(2,4-dichlorophenyl)thiazol-2-ylamino]methanephosphonate

Conditions

Conditions	Yield
With nano-BF3/SiO2 In neat (no solvent) at 20℃; for 0.233333h; Temperature; Kabachnik-Fields Reaction; Sonication; Green chemistry;	92%

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

: (R)-N-[(3-chloro-4-fluorophenyl)methylene]-2-methylpropane-2-sulfinamide

Conditions

Conditions	Yield
With titanium(IV) tetraethanolate In dichloromethane for 20h;	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%

: 873-83-6
4-Amino-2,6-dihydroxypyrimidine

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 108-26-9
3-methyl-2-pyrazoline-5-one

: 4-(3-chloro-4-fluorophenyl)-3-methyl-4,8-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine-5,7(1H,6H)-dione

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 70℃;	91%

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: C16H24O5

: C23H27ClO6

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 18h;	90%
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 18h; Inert atmosphere;	90%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 116-09-6
hydroxy-2-propanone

: (3R,4S)-3,4-dihydroxy-4-(3-chloro-4-fluorophenyl)butan-2-one

Conditions

Conditions	Yield
With (1S,2S)-N'-methyl-N'-((S)-1-phenylethyl)cyclohexane-1,2-diamine; trifluoroacetic acid In water; N,N-dimethyl-formamide at 20℃; aldol reaction; optical yield given as %ee; enantioselective reaction;	89%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 108-98-5
thiophenol

: 1260497-63-9
3-chloro-4-(phenylthio)benzaldehyde

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 100℃;	89%

: 870-46-2
t-butoxycarbonylhydrazine

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: C12H14ClFN2O2

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 0.123333h; Flow reactor;	89%

: 534-22-5
2-methylfuran

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 5,5'-(3-chloro-4-fluorobenzyl)bis(2-methylfuran)

Conditions

Conditions	Yield
With aminosulfonic acid at 70℃; for 6h;	89%

: 372120-72-4
3-aminohept-2-enoic acid ethyl ester

: 61363-56-2
2H-pyran-3,5(4H,6H)-dione

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 927670-37-9
2-butyl-4-(3-chloro-4-fluoro-phenyl)-5-oxo-4,5,6,8-tetrahydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In ethanol at 80℃; for 16h;	88%

...Expand

: 873-83-6
4-Amino-2,6-dihydroxypyrimidine

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 109-77-3
malononitrile

: 7-amino-5-(3-chloro-4-fluorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 70℃;	88%

...Expand

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 3-(4-oxoquinazolin-4(3H)-yl)propanehydrazide

: N'-(3-chloro-4-fluorobenzylidene)-3-(4-oxoquinazolin-3(4H)-yl)propanehydrazide

Conditions

Conditions	Yield
With piperidine In ethanol for 8h; Reflux;	88%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 13755-95-8
2,3-diamino-1,4-naphthoquinone

: 2-(3-chloro-4-fluorophenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione

Conditions

Conditions	Yield
In dimethyl sulfoxide at 70℃;	87%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 351373-03-0
1-(3-chloro-4-fluorophenyl)-1H-1,2,3,4-tetrazole

Conditions

Conditions	Yield
With sodium azide In methanol at 20℃; for 5h; Irradiation; regioselective reaction;	87%

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 20277-69-4
sodium methansulfinate

: 101349-83-1
3-chloro-4-(methylsulfonyl)benzaldehyde

Conditions

Conditions	Yield
In dimethyl sulfoxide at 80℃;	86%
In dimethyl sulfoxide at 90℃; for 6h;
In dimethyl sulfoxide at 70℃;

3-Chloro-4-fluorobenzaldehyde Specification

The 3-Chloro-4-fluorobenzaldehyde with cas registry number of 34328-61-5 is a kind of colorless to light yellow liqiud which is sensitive to air. Both its systematic name and IUPAC name are the same which is called 3-chloro-4-fluorobenzaldehyde. This chemical belongs to the following categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Chlorine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds.

The physical properties about this chemical are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.39; (6)ACD/BCF (pH 7.4): 29.39; (7)ACD/KOC (pH 5.5): 391.3; (8)ACD/KOC (pH 7.4): 391.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 37.89 cm³; (14)Molar Volume: 117.2 cm³; (15)Surface Tension: 40.2 dyne/cm; (16)Density: 1.352 g/cm³; (17)Flash Point: 87.1 °C; (18)Enthalpy of Vaporization: 45.69 kJ/mol; (19)Boiling Point: 220.5 °C at 760 mmHg; (20)Vapour Pressure: 0.113 mmHg at 25°C; (21)Refractive index: 1.544-1.546.

Preparation: this chemical can be prepared by 3,4-dichloro-benzaldehyde with reagent KF and catalyst tetraphenylphosphonium bromide, 18-crown-6. The reaction occurs at temperature of 230 ℃ with reaction time 2 hours. The yield is 66%.

Use of 3-Chloro-4-fluorobenzaldehyde: this chemical can react with 2-methoxy-benzenethiol to produce 3-chloro-4-(2-methoxy-phenylsulfanyl)-benzaldehyde at temperature of 25 - 55 ℃. The reaction still needs reagent K₂CO₃ and solvent dimethylformamide. The reaction time is 75 min with 84% yield.

When you are using this chemical, please be cautious about it as the following:
This chemical could irritate to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C=O)cc1Cl;
(2)InChI: InChI=1/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H;
(3)InChIKey: GVORVQPNNSASDM-UHFFFAOYAO

Product Name

3-Chloro-4-fluorobenzaldehyde

Synthetic route

3-Chloro-4-fluorobenzaldehyde Specification

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