| Identification | More | [Name]
1-Bromo-2,3-difluorobenzene | [CAS]
38573-88-5 | [Synonyms]
1-BROMO-2,3-DIFLUOROBENZENE
2,3-DIFLUOROBROMOBENZENE
2,3-DifluoroBrmorobenzene
1-Bromo-2,3-Difluorobenzenne
2,3-Difluorobromobenzene 98%
2,3-Difluorobromobenzene98% | [EINECS(EC#)]
609-564-8 | [Molecular Formula]
C6H3BrF2 | [MDL Number]
MFCD00061136 | [Molecular Weight]
192.99 | [MOL File]
38573-88-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to peach liquid | [Boiling point ]
234 °C (765 mmHg)
| [density ]
1.724 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.509(lit.)
| [Fp ]
142 °F
| [storage temp. ]
Sealed in dry,2-8°C | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
1.724 | [Usage]
intermediate for liquid crystal and drugs | [InChI]
InChI=1S/C6H3BrF2/c7-4-2-1-3-5(8)6(4)9/h1-3H | [InChIKey]
RKWWASUTWAFKHA-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=CC(F)=C1F | [CAS DataBase Reference]
38573-88-5(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to peach liquid | [Uses]
intermediate for liquid crystal and drugs | [General Description]
Microbial oxidation of 1-bromo-2,3-difluorobenzene by Pseudomonas putida strain 39/D and Escherichia coli recombinant microorganism (strain JM 109(pDTG601)) has been reported. | [Synthesis]
Add
50% aqueous solution of KOH (18.0 g, 160 mmol) to a mixture of
1-bromo-5,5,6,6-tetrafluorocyclohex-1-ene (11.65 g) and
triethylbenzylammonium chloride (0.15 g, 0.7 mmol) at 30-35°C for 30
minutes. Keep the reaction mixture at 75-85°C for 2 hours. Cool the
reaction mixture. Dilute the reaction mixture with water. Extract the
organic product with CH2Cl2. Dry the organic product over CaCl2. Distill the organic product. 1H NMR (CDCl3, 300.1 MHz), δ: 7.00-7.16 (m, 1H, Ar); 7.17-7.29 (m, 1H, Ar); 7.34-7.47 (m, 1H, Ar). 13C NMR (CDCl3,
75.5 MHz), δ: 110.40 (d, C(1), J = 17.5 Hz); 116.40 (d, C(4), J = 17.7
Hz); 124.70 (dd, C(5), J = 7.1 Hz, J = 5.0 Hz); 128.23 (d, C(6), J = 3.6
Hz); 148.10 (dd, C(2), J = 248.8 Hz, J = 14.3 Hz); 150.92 (dd, C(3), J =
251.9 Hz, J = 13.3 Hz). 19F NMR (CDCl3, 282.4 MHz), δ: -130.9 (m, 1 F, Ar), -134.8 (m, 1 F, Ar). BP 157-158°C. Elemental Analysis Found (%): C, 37.54; H, 1.50. C6H3BrF2. Calculated (%): C, 37.34; H, 1.52. Mass Spec MS, m/z (Irel (%)): 194, 192 [M]+ (100, 99), 113 [M-Br]+ (88), 63 (60).
 Fig The synthetic method of 1-Bromo-2,3-difluorobenzene | [storage]
Keep container sealed and store in an ventilated, low temperature, dry warehouse, separate from foods and oxidizing agents. | [References]
[1] Guanglin Luo*. (2012). Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine. ACS Medicinal Chemistry Letters, 3 4, 337–341. https://doi.org/10.1021/ml300021s
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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 |
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