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| CAS No.: | 34328-61-5 |
|---|---|
| Name: | 3-Chloro-4-fluorobenzaldehyde |
| Article Data: | 7 |
| Molecular Structure: | |
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|
|
| Formula: | C7H4ClFO |
| Molecular Weight: | 158.56 |
| Synonyms: | 4-Fluoro-3-chlorobenzaldehyde; |
| EINECS: | -0 |
| Density: | 1.352 g/cm3 |
| Melting Point: | 28-30 °C(lit.) |
| Boiling Point: | 220.5 °C at 760 mmHg |
| Flash Point: | 87.1 °C |
| Appearance: | colorless to light yellow liqiud |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-28-36-37/39 |
| PSA: | 17.07000 |
| LogP: | 2.29160 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 1012868-70-0
potassium (2-fluoro-5-formyl)phenyltrifluoroborate
- 34328-61-5
3-Chloro-4-fluorobenzaldehyde
| 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 | 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. |
| 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 | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene for 12h; Reflux; | 100% |
| toluene-4-sulfonic acid In toluene for 12h; Reflux; | 100% |
| 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 | 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 | Yield |
|---|---|
| With ammonium acetate In acetonitrile at 20℃; for 0.0333333h; Hantzsch pyridine synthesis; | 98% |
| 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 | 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 | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h; | 95% |
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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%.
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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.
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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