2,4-Difluorobenzaldehyde(DFBA) CAS#: 1550-35-2

2,4-Difluorobenzaldehyde(DFBA) CAS#: 1550-35-2; ChemWhat Code: 1411400

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Patent Information
Patent ID	Title	Publication Date
CN114105971	6-(benzo 1, 3 dioxopentacyclic)-4phenyl-6H-1, 3-thiazine-2-amine derivative and application	2022
CN113024414	Method for efficiently synthesizing fluorine-containing compound	2021
CN110590665	Camphoric acid-based acylhydrazone derivative, preparation method and applications thereof	2019
WO2016/149311	FUNGICIDAL PYRAZOLES	2016

Appearance

Colorless to pale yellow transparent liquid

Melting Point, °C	Solvent (Melting Point)
2 – 3

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Temperature (NMR Spectroscopy), °C	Frequency (NMR Spectroscopy), MHz
Chemical shifts	1H	chloroform-d1		400
Chemical shifts	13C	chloroform-d1		100
Chemical shifts, Spectrum	1H	chloroform-d1		400
Chemical shifts, Spectrum	13C	chloroform-d1		101

Description (IR Spectroscopy)	Solvent (IR Spectroscopy)	Temperature (IR Spectroscopy), °C
Bands	potassium bromide
Bands	potassium bromide
FT-IR-Difference Spectroscopy, Bands, Spectrum
Bands, Spectrum
Bands
Bands	nujol

Description (UV/VIS Spectroscopy)	Solvent (UV/VIS Spectroscopy)	Comment (UV/VIS Spectroscopy)
Spectrum	gas	220 – 250 nm

Route of Synthesis (ROS) of 2,4-Difluorobenzaldehyde(DFBA) CAS1550-35-2

Conditions	Yield
With sodium tetrahydroborate In methanol at 0℃; Inert atmosphere;	100%
Stage #1: 2,4-difluorobenzaldehyde With C36H44F4N2Ni2P2; diphenylsilane In tetrahydrofuran at 45℃; for 3h; Schlenk technique; Inert atmosphere; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol at 60℃; for 24h; Schlenk technique; Inert atmosphere;	92%
With methanol; sodium tetrahydroborate at 0℃; for 1h;	88%
Experimental Procedure Example 13; Preparation of Intermediates (1-(Bromomethyl)-2,4-difluorobenzene) (I-1)To a stirred solution of 2,4-difluorobenzaldehyde (500 mg, 3.52 mmol) in CH3OH (8 mL) was added NaBH4 (266 mg, 7.04 mmol) portion wise at 0° C., and the reaction mixture was stirred at 0° C. for 1 h. After completion of the reaction (by TLC), CH3OH was removed under reduced pressure, diluted with ice-cold H2O (40 mL) and extracted with EtOAc (2×20 mL). The combined organic layers were washed with H2O (40 mL) and brine (40 mL), dried over anhydrous Na2SO4 and concentrated under reduced pressure to obtain the crude material. Purification by silica gel column chromatography eluting with 10% EtOAc/hexanes afforded the alcohol G (450 mg, 3.12 mmol, 88%) as colorless liquid. 1H NMR (200 MHz, CDCl3): δ 7.45-7.33 (m, 1H), 6.83-6.75 (m, 2H), 4.72 (s, 2H), 1.79 (br s, OH).

Pictogram(s)
Signal	Danger
GHS Hazard Statements	H300: Fatal if swallowed [Danger Acute toxicity, oral] H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373: Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Transportation	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere
HS Code
Storage	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere
Shelf Life	1 year
Market Price	USD 300/kg

Quantitative Results
1 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference	4-HYDROXYPIPERIDINE DERIVATIVES HAVING ANTIARRHYTHMIC EFFECT
2 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference	Triazolo-pyridazine derivatives as ligands for GABA receptors
3 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference
4 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference	Synthesis and calcium antagonistic activity of diethyl styrylbenzylphosphonates
5 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference	Synthesis and antitumor activities of novel 5-deazaflavin-sialic acid conjugate molecules
6 of 59	Comment (Pharmacological Data)	Bioactivities present
	Reference	3-Trifluoromethyl-4-nitro-5-arylpyrazoles are novel K_ATP channel agonists
7 of 10	Comment (Pharmacological Data)	Bioactivities present
	Reference	Cross reactions of cyanoacetic acid derivatives with carbonyl compounds 3. One-step synthesis of substituted 2-amino-5-oxo-4,5-dihydropyrano[3,2-c] chromenes

Use Pattern

2,4-Difluorobenzaldehyde(DFBA) CAS#: 1550-35-2 isused in medicine, pesticide, liquid crystal material intermediates.


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Product Name	2,4-Difluorobenzaldehyde(DFBA)
IUPAC Name	2,4-difluorobenzaldehyde
Molecular Structure
CAS Registry Number	1550-35-2
EINECS Number	216-287-2
MDL Number	MFCD00010326
Beilstein Registry Number
Synonyms	2,4-Difluorobenzaldehyde 1550-35-2 Benzaldehyde, 2,4-difluoro- 2,4-Difluoro-benzaldehyde MFCD00010326 CHEMBL4092237 EINECS 216-287-2 2,4difluorobenzaldehyde 2,4-difluorbenzaldehyde 2,4 difluorobenzaldehyde 2.4-difluorobenzaldehyde 4,6-Difluorobenzaldehyde 2,4-difluoro benzaldehyde 2.4-difluoro benzaldehyde 2, 4-Difluorobenzaldehyde SCHEMBL96915 4-Fluoro-2-fluorobenzaldehyde 2,4-Difluorobenzaldehyde, 98% DTXSID40165788 ACT00455 ZINC2004034 BDBM50234268 STK510038 TD1185 AKOS000119855 AC-3833 PS-9013 BP-21347 DB-023754 AM20060046 D2839 FT-0610082 FT-0651771 EN300-21300 W-108024 F2190-0609 Z104495222
Molecular Formula	C₇H₄F₂O
Molecular Weight	142.103
InChI	InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChI Key	WCGPCBACLBHDCI-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=C(C=C1F)F)C=O