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3-Chloro-4-fluorobenzaldehyde
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Name

3-Chloro-4-fluorobenzaldehyde

 EINECS -0
CAS No. 34328-61-5 Density 1.352 g/cm3
PSA 17.07000 LogP 2.29160
Solubility N/A 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 N/A Appearance colorless to light yellow liqiud
Safety 26-28-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 34328-61-5 (3-Chloro-4-fluorobenzaldehyde) Hazard Symbols IrritantXi
Synonyms

4-Fluoro-3-chlorobenzaldehyde;

Article Data 7

3-Chloro-4-fluorobenzaldehyde Synthetic route

1012868-70-0

potassium (2-fluoro-5-formyl)phenyltrifluoroborate

34328-61-5

3-Chloro-4-fluorobenzaldehyde

Conditions
ConditionsYield
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
ConditionsYield
With potassium fluoride; 18-crown-6 ether; tetraphenylphosphonium bromide at 230℃; for 2h;66%
With potassium fluoride66%
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
ConditionsYield
(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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With ammonium acetate In acetonitrile at 20℃; for 0.0333333h; Hantzsch pyridine synthesis;98%
34328-61-5

3-Chloro-4-fluorobenzaldehyde

97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11Cl2FN2

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

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

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