2-CHLORO-4,5-DIFLUOROBENZOIC ACID

2-CHLORO-4,5-DIFLUOROBENZOIC ACID - Names and Identifiers

Name	2-Chloro-4,5-difluorobenzoic acid
Synonyms	405-380-5 110877-64-0 QVR BG DF EF TIMTEC-BB SBB003616 RARECHEM AL BO 1000 2-chloro-4,5-difluorobenzoate 2-chloro-4,5-difluorophenyl acid 2-CHLORO-4,5-DIFLUOROBENZOIC ACID 2-Chloro-4,5-difluorobenzoic acid 2-Chloride-4,5-Difluoride Benzoic Acids
CAS	110877-64-0
EINECS	405-380-5
InChI	InChI=1/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)/p-1

2-CHLORO-4,5-DIFLUOROBENZOIC ACID - Physico-chemical Properties

Molecular Formula	C7H3ClF2O2
Molar Mass	192.55
Density	1.4821 (estimate)
Melting Point	103-106 °C (lit.)
Boling Point	258 °C
Flash Point	257-259°C
Water Solubility	5.0 g/L (20 ºC)
Vapor Presure	0.00273mmHg at 25°C
Appearance	White powder
Color	White
BRN	4247522
pKa	2.50±0.25(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00077479

2-CHLORO-4,5-DIFLUOROBENZOIC ACID - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R21/22 - Harmful in contact with skin and if swallowed. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29163990
Hazard Class	IRRITANT

2-CHLORO-4,5-DIFLUOROBENZOIC ACID - Reference Information

uses

2-chloro-4, 5-difluorobenzoic acid (CDFBA) is an important pharmaceutical and pesticide intermediate, mainly used for the production of new antibacterial drugs fluoropyronidone acids and cardiovascular and cerebrovascular drugs.

preparation

according to literature reports and exploration test results, considering factors such as technology, economy and industrialization possibility, we have determined the synthesis route of synthesizing the target product with o-difluorobenzene (O-DFB) as raw material through three steps of chlorination, acylation and oxidation. The synthesis reaction formula is as follows: Figure 1 2-Chloro-4, 5-difluorobenzoic acid synthesis roadmap Chloroacetyl method uses 1-chloro-3, 4-difluorobenzene as raw material, and acetylates to obtain 2-Chloro-4, 5-difluorophenyl ketone, the yield is 82%; then oxidized with sodium hypochlorite to obtain 2-chloro-4, 5-difluorobenzoic acid, the yield is 85.1%. The carbon tetrachloride acylation method uses 2, 4-dichlorofluorobenzene as the raw material, acylates with carbon tetrachloride in the presence of aluminum trichloride to obtain 2, 4-dichloro-5-fluorotrichlorotoluene; ammonolysis to obtain 2, 4-dichloro-5-fluorobenzonitrile, then dimethyl sulfoxide as a solvent, and fluoroexchange with potassium fluoride to obtain 2-chloro-4, 5-benzonitrile; finally hydrolysis with sulfuric acid to obtain the product. 3/2-amino -4,5-difluorobenzoic acid method in acetonitrile medium with copper chloride, nitrite tert-butyl ester reaction product.

Last Update：2024-04-09 02:00:06