| Identification | More | [Name]
Methyl 2-chloro-4-fluorobenzoate | [CAS]
85953-29-3 | [Synonyms]
2-CHLORO-4-FLUOROBENZOIC ACID METHYL ESTER
METHYL 2-CHLORO-4-FLUOROBENZENECARBOXYLATE
METHYL 2-CHLORO-4-FLUOROBENZOATE
RARECHEM AL BF 0289
Methyl 2-chloro-4-fluorobenzoate 97%
Methyl2-chloro-4-fluorobenzoate97% | [Molecular Formula]
C8H6ClFO2 | [MDL Number]
MFCD00173937 | [Molecular Weight]
188.58 | [MOL File]
85953-29-3.mol |
| Chemical Properties | Back Directory | [Boiling point ]
110 °C | [density ]
1.314±0.06 g/cm3(Predicted) | [refractive index ]
1.5150 to 1.5190 | [Fp ]
103-105°C/15mm | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light yellow | [InChI]
InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3 | [InChIKey]
YZDLPZNWBRBZMZ-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=C(F)C=C1Cl | [CAS DataBase Reference]
85953-29-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
1993 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2916310090 |
| Hazard Information | Back Directory | [Uses]
Methyl 2-chloro-4-fluorobenzoate can form complexes with Cu ions for materials chemistry research. | [Synthesis]
General procedure for the synthesis of methyl 2-chloro-4-fluorobenzoate from methanol and 2-chloro-4-fluorobenzoic acid: 2-chloro-4-fluorobenzoic acid (6.5 g, 37 mmol) was dissolved in methanol (100 mL), chlorotrimethylsilane (14.0 mL, 111 mmol) was added, and the reaction was stirred for 24 hours at room temperature. Upon completion of the reaction, the solvent was removed by rotary evaporator. The residue was dissolved in dichloromethane, washed with saturated sodium bicarbonate solution, dried over anhydrous sodium sulfate, and the solvent was again removed by rotary evaporator to afford methyl 2-chloro-4-fluorobenzoate as a light yellow oil (7.01 g, 99% yield). The product was confirmed by 1H-NMR (CDCl3, 500 MHz): δ 7.93 (m, 1H), 7.22 (m, 1H), 7.06 (m, 1H), 3.95 (s, 3H) ppm; mass spectrometry (FIA) showed the molecular ion peaks m/z 189.1 (M + H); and the retention time for the HPLC analysis (Method A) was 3.37 min. | [References]
[1] Patent: WO2004/46120, 2004, A2. Location in patent: Page 175; 176
[2] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 21, p. 9524 - 9535
[3] European Journal of Medicinal Chemistry, 2015, vol. 90, p. 195 - 208
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 8, p. 3130 - 3141 |
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