- 2,6-dimethylfluorobenzene
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- $20.00 / 1ASSAYS
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2026-02-12
- CAS:443-88-9
- Min. Order: 1ASSAYS
- Purity: 99%
- Supply Ability: 200MT/ year
- 2,6-Dimethylfluorobenzene
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- $100.00 / 1KG
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2025-09-25
- CAS:443-88-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 2,6-Dimethylfluorobenzene Basic information |
| Product Name: | 2,6-Dimethylfluorobenzene | | Synonyms: | FLUORO-M-XYLENE;2,5-DIMETHYLFLUOROBENZENE;2,6-DIMETHYLFLUOROBENZENE;Benzene, 2-fluoro-1,3-dimethyl-;Fluoromxylenedimethylfluorobenzene;Fluoroxylene3;1-FLUORO-2,6-DIMETHYLBENZENE;1,3-Dimethyl-2-fluorobenzene~2,6-Dimethylfluorobenzene | | CAS: | 443-88-9 | | MF: | C8H9F | | MW: | 124.16 | | EINECS: | 207-144-5 | | Product Categories: | Halogen toluene | | Mol File: | 443-88-9.mol |  |
| | 2,6-Dimethylfluorobenzene Chemical Properties |
| Boiling point | 147-148 °C(lit.) | | density | 0.988 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.479(lit.) | | Fp | 87 °F | | storage temp. | 2-8°C | | form | liquid | | color | Clear, colourless | | Specific Gravity | 0.988 | | Water Solubility | Not miscible or difficult to mix in water. | | BRN | 1857413 | | InChI | InChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3 | | InChIKey | JTAUTNBVFDTYTI-UHFFFAOYSA-N | | SMILES | C1(C)=CC=CC(C)=C1F | | CAS DataBase Reference | 443-88-9(CAS DataBase Reference) | | NIST Chemistry Reference | 2,6-Dimethylfluorobenzene(443-88-9) |
| Hazard Codes | F,Xn | | Risk Statements | 10 | | Safety Statements | 16 | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | Hazard Note | Flammable | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29039990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | 2,6-Dimethylfluorobenzene Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Uses | It is used in the spectroscopic observation of jet-cooled 2-fluoro-m-xylyl radical. | | Synthesis Reference(s) | Journal of Medicinal Chemistry, 21, p. 906, 1978 DOI: 10.1021/jm00207a013 | | Synthesis | Example 2: General procedure for synthesizing 2-fluoro-1,3-dimethylbenzene from 2,6-dimethylaniline
The diazotization of 2,6-dimethylaniline (2.3 g, 0.02 mol) was carried out in an Et3N-3HF system under the same conditions as for 2,4,6-trimethylaniline in Example 1. Upon initial addition of sodium nitrite (2.0 g, 0.03 mol), the color of the reaction mixture gradually changed from yellow to red. A small amount of tar is generated during the reaction, which can be easily separated by solvent extraction. The post-treatment was consistent with the description of 2,4,6-trimethylaniline. The organic layer was extracted from the aqueous phase using diethyl ether (150 mL), and the organic extract was dried over magnesium sulfate and fractionated by solvent to give an orange colored oil. The oily substance was distilled at 141-143 °C and atmospheric pressure to give the colorless liquid 1-fluoro-2,6-dimethylbenzene (2.0 g, 86.3% yield). The distillation process was completed in 1 hour.
The 1H NMR (CDCl3) spectrum of the product showed: δ 2.25 (2-CH3 and 6-CH3, d, J = 2.0 Hz, 6H); δ 6.91 (3-H and 5-H, dd, J = 8.3 Hz and J = 6.5 Hz, 2H); and δ 7.01 (4-H, t, J = 8.0 Hz, 1H).19F NMR (CDCl3) spectrum was found to be at δ 122.5 (1-F, ts, J = 6.5 Hz and J = 2.0 Hz) showed signals. Mass spectrometry analysis showed the molecular ion peak at m/z 124 and characteristic fragmentation peaks of 1-fluoro-2,6-dimethylbenzene were observed at m/z 109, 103, 96, 89, 83 and 77. | | References | [1] Patent: US6179970, 2001, B2
[2] Journal of the American Chemical Society, 1992, vol. 114, # 7, p. 2482 - 2494
[3] Proceedings - Indian Academy of Sciences, Section A, 1959, vol. 50, p. 51,56, 58, 59
[4] Journal of Medicinal Chemistry, 1978, vol. 21, # 9, p. 906 - 913
[5] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 7, p. 1075 - 1078 |
| | 2,6-Dimethylfluorobenzene Preparation Products And Raw materials |
| Raw materials | (2,6-dimethylphenyl) chloroformate-->1,3-Dimethyl-4-fluorobenzene-->3-Methylbenzyl fluoride-->2,4,6-TRIMETHYLFLUOROBENZENE-->4-(TERT-BUTYL)-2,6-DIMETHYLANILINE-->2,6-Dimethylphenylboronic acid-->4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE-->2-Iodo-1,3-dimethylbenzene-->1,2,4-Trichlorobenzene-->2-Bromo-m-xylene-->2,6-Dimethylaniline-->1-tert-Butyl-3,5-dimethylbenzene-->m-Xylene | | Preparation Products | 4-FLUORO-3,5-DIMETHYLANILINE
-->1,3-Benzenedicarboxaldehyde,2-fluoro-(9CI)-->2-Fuoro-5-iodo-1,3-dimethylbenzene |
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