| Identification | More | [Name]
2-Chloro-4,5-difluorobenzoic acid | [CAS]
110877-64-0 | [Synonyms]
2-CHLORO-4,5-DIFLUOROBENZOIC ACID
RARECHEM AL BO 1000
TIMTEC-BB SBB003616
2-CHLORO-4 5-DIFLUOROBENZENE ACID 98%
2-Chloro-4,5-difluorobenzoic acid, 99+%
2-Chloro-4,5-difluorobenzoic acid 99%
2-chloro-4,5-difluorophenyl acid
2-CHLORO-4,5-DIFLUOROBENZOIC ACID,98% | [EINECS(EC#)]
405-380-5 | [Molecular Formula]
C7H3ClF2O2 | [MDL Number]
MFCD00077479 | [Molecular Weight]
192.55 | [MOL File]
110877-64-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
103-106 °C (lit.) | [Boiling point ]
258 °C
| [density ]
1.4821 (estimate) | [Fp ]
257-259°C | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Fine Crystalline Powder | [pka]
2.50±0.25(Predicted) | [color ]
White | [Water Solubility ]
5.0 g/L (20 ºC) | [BRN ]
4247522 | [InChI]
InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) | [InChIKey]
CGFMLBSNHNWJAW-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=C(F)C=C1Cl | [CAS DataBase Reference]
110877-64-0(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
2-Chloro-4,5-difluorobenzoic acid (CDFBA) is an important pharmaceutical and pesticide intermediate, mainly used in the production of novel antibacterial drugs such as fluopyridine and cardiovascular drugs. |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H315-H318-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
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 Statements ]
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
| [Hazard Note ]
Irritant | [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [General Description]
2-Chloro-4,5-difluorobenzoic acid is an important intermediate in medicinal compounds and pesticides. Lanthanide complexes with the 2-chloro-4,5-difluorobenzoate (2-cl-4,5-dfba) and 1,10-phenanthroline (phen), have been prepared and their crystal structures have been studied. Efficient synthesis of 2-chloro-4,5-difluorobenzoic acid v-difluororbenzene has been reported. | [Synthesis]
Example 2 Preparation of 2-chloro-4,5-difluorobenzoic acid: 280.4 g (0.4 mol) of 12% sodium hypochlorite aqueous solution was added to 19.1 g (0.1 mol) of 1-(2-chloro-4,5-difluorophenyl)ethanone. The reaction mixture was stirred under reflux conditions for 4 hours. After completion of the reaction, the reaction was cooled to room temperature and the pH was adjusted slowly and dropwise with concentrated hydrochloric acid to 1. The precipitated white crystals were dissolved with dichloromethane and the organic and aqueous phases were separated. The aqueous phase was extracted twice with dichloromethane and the organic phases were combined. The solvent was removed by distillation to give 16.4 g (yield: 85.1%) of 2-chloro-4,5-difluorobenzoic acid as white crystals. | [References]
[1] Organic Preparations and Procedures International, 1991, vol. 23, # 5, p. 655 - 658
[2] Patent: US4994610, 1991, A
[3] Patent: US5093515, 1992, A
[4] Organic Preparations and Procedures International, 1996, vol. 28, # 2, p. 245 - 246
[5] Patent: EP342849, 1990, A3 |
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