| Identification | More | [Name]
3-Chloro-4-fluorobenzoic acid | [CAS]
403-16-7 | [Synonyms]
3-CHLORO-4-FLUOROBENZOIC ACID
4-FLUORO-3-CHLOROBENZOIC ACID
RARECHEM AL BO 0274
TIMTEC-BB SBB003796
1-chloro-3-fluorobezene
3-Chloro-4-fluorobenzoic acid 98%
3-Chloro-4-fluorobenzoicacid98%
3-chloro-4-fluorobenzioc acid | [EINECS(EC#)]
609-818-8 | [Molecular Formula]
C7H4ClFO2 | [MDL Number]
MFCD00042477 | [Molecular Weight]
174.56 | [MOL File]
403-16-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
133-135 °C(lit.) | [Boiling point ]
92°C/22mm | [density ]
1.4016 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.77±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [BRN ]
2574799 | [InChI]
InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) | [InChIKey]
PKTSBFXIHLYGEY-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(F)C(Cl)=C1 | [CAS DataBase Reference]
403-16-7(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 3-chloro-4-fluoro- (403-16-7) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Chloro-4-fluorobenzoic Acid is a useful research chemical compound used as a reactant in the structure-activity relationship study on substituted 1-Benzyl-5-phenyltetrazole P2X7 Antagonists. | [Synthesis]
General procedure for the synthesis of 3-chloro-4-fluorobenzoic acid from 3-chloro-4-fluorobenzoyl chloride: 2 g of 3-chloro-4-fluorobenzoyl chloride (99.6% purity, GC [a/a]) was mixed with 4 g of 50% sodium hydroxide solution and 20 g of water, and the reaction was carried out at 60 °C with cautious hydrolysis. After completion of the reaction, the reaction solution was continued to be stirred at room temperature for 2 hours. Subsequently, the reaction mixture was acidified with concentrated hydrochloric acid to pH 1. The precipitated 3-chloro-4-fluorobenzoic acid was washed sequentially with dilute hydrochloric acid and water and then dried. 1.68 g of white powdery 3-chloro-4-fluorobenzoic acid was finally obtained in 92.8% yield of the theoretical value. Melting point of the product: 136 °C (literature value: 136 °C). | [References]
[1] Patent: US6187952, 2001, B1 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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