ChemicalBook--->CAS DataBase List--->434-75-3

434-75-3

434-75-3 Structure

434-75-3 Structure
IdentificationMore
[Name]

2-Chloro-6-fluorobenzoic acid
[CAS]

434-75-3
[Synonyms]

2-CHLORO-6-FLUOROBENZOIC ACID
LABOTEST-BB LT00454355
RARECHEM AL BO 0022
Benzoic acid, 2-chloro-6-fluoro-
2-Chloro-6-fluorobenzoic acid, 98+%
2-Chloro-6-fluorobenzoic acid 97%
2-Chloro-6-fluorobenzoicacid97%
2-CHLORO-6-FLUROBENZOIC ACID pure
[EINECS(EC#)]

207-105-2
[Molecular Formula]

C7H4ClFO2
[MDL Number]

MFCD00002417
[Molecular Weight]

174.56
[MOL File]

434-75-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

155-157 °C(lit.)
[Boiling point ]

263.7±20.0 °C(Predicted)
[density ]

1.4016 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

2.04±0.10(Predicted)
[color ]

White to Gray to Brown
[BRN ]

973857
[InChI]

InChI=1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
[InChIKey]

XNTIGDVFBDJLTQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=C(F)C=CC=C1Cl
[CAS DataBase Reference]

434-75-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Chloro-6-fluorobenzoic acid(434-75-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloro-6-fluorobenzoic acid(434-75-3).msds
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

2-Chloro-6-fluorobenzoic Acid is a versatile reactant used in the synthesis of biaryls via decarboxylative Pd-catalyzed cross-coupling with aryl iodides. Also used in the preparation of fluorinated biaryls and heterobiaryls using copper catalyzed decarboxylative cross-coupling of aryl and heteroalyl iodides or bromides with potassium polyfluorobenzoates.
[General Description]

2-Chloro-6-fluorobenzoic acid is a two-fold halogenated derivative of benzoic acid.
[Synthesis]

2-Chloro-6-fluorobenzaldehyde

387-45-1

2-Chloro-6-fluorobenzoic acid

434-75-3

General procedure for the synthesis of 2-chloro-6-fluorobenzoic acid from 2-chloro-6-fluorobenzaldehyde: H3PO4 (454 mg, 3.78 mmol) was added to a solution of 2-chloro-6-fluorobenzamide (1.0 g, 6.31 mmol) in 25 mL of THF and 10 mL of H2O. The reaction mixture was stirred at room temperature for 10 min, followed by the addition of NaClO (1.88 g, 20.81 mmol) and 1.4 mL H2O2 (30% w/w). The reaction was continued to be stirred for 3 h at room temperature. After completion of the reaction, the reaction mixture was extracted with EtOAc. The combined organic layers were washed with 1 M NaOH aqueous solution. The combined aqueous layer was acidified with 1 M HCl aqueous solution to pH ≈ 1 and extracted again with EtOAc. The combined organic layers were washed with brine and dried with anhydrous Na2SO4. After filtration, the solvent was removed in vacuum to afford 1.10 g (99% yield) of 2-chloro-6-fluorobenzoic acid as a colorless solid, which could be used without further purification.1H NMR (400 MHz, CDCl3) δ: 7.44-7.37 (m, 1H), 7.31-7.27 (m, 1H) , 7.10-7.07 (m, 1H).

[References]

[1] ChemMedChem, 2016, vol. 11, # 23, p. 2607 - 2620
[2] Patent: WO2018/52903, 2018, A1. Location in patent: Page/Page column 47-48
[3] Tetrahedron Letters, 1988, vol. 29, # 16, p. 1967 - 1970
[4] Chemische Berichte, 1936, vol. 69, p. 2253,2255
[5] Tetrahedron Letters, 1988, vol. 29, # 16, p. 1967 - 1970
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-6-fluorobenzoic acid(434-75-3)MS
2-Chloro-6-fluorobenzoic acid(434-75-3)1HNMR
2-Chloro-6-fluorobenzoic acid(434-75-3)IR1
2-Chloro-6-fluorobenzoic acid(434-75-3)IR2
2-Chloro-6-fluorobenzoic acid(434-75-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-6-fluorobenzoic acid, 98%(434-75-3)
[Alfa Aesar]

2-Chloro-6-fluorobenzoic acid, 98+%(434-75-3)
[Sigma Aldrich]

434-75-3(sigmaaldrich)
[TCI AMERICA]

2-Chloro-6-fluorobenzoic Acid,>98.0%(T)(434-75-3)
434-75-3 suppliers list
Company Name: Shanghai Harvest Chemical Industrial Co., Ltd.  Gold
Telephone: 15721252604 17321035817
Website: www.harvest-chem.com/
Company Name: Jiangsu Huaweisite Pharmaceutical Technology Co., Ltd.  Gold
Telephone: 0519-88721112
Website: http://www.harvechem.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: PharmaBlock Sciences (Nanjing),Inc.  
Telephone: 025-86918202 4000255188
Website: http://www.pharmablock.com/
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: ShangHai DEMO Chemical Co.,Ltd  
Telephone: 400-021-7337 2355568890
Website: www.demochem.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shanghai Chemical Pharm-Intermediate Tech.Co., Ltd.  
Telephone: 21-54820552 17702105771
Website: https://www.chemicalbook.com/ShowSupplierProductsList13434/0_EN.htm
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Tags:434-75-3 Related Product Information
668-45-1 456-22-4 937-14-4 1005-56-7 501-53-1 2040-90-6 2937-50-0 1885-14-9 7635-54-3 75-45-6 541-41-3 32890-89-4 32890-90-7 287172-74-1 1868-80-0 79-22-1 446-30-0 86522-89-6