2-Fluor-m-xylol

Bezeichnung:2-Fluor-m-xylol

CAS-Nr443-88-9

Englisch Name:2,6-Dimethylfluorobenzene

CBNumberCB4367264

SummenformelC8H9F

Molgewicht124.16

MOL-Datei443-88-9.mol

Synonyma

2-Fluor-m-xylol

2-Fluor-m-xylol physikalisch-chemischer Eigenschaften

Siedepunkt	147-148 °C(lit.)
Dichte	0.988 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.479(lit.)
Flammpunkt	87 °F
storage temp.	2-8°C
Aggregatzustand	liquid
Farbe	Clear, colourless
Wichte	0.988
Wasserlöslichkeit	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 Datenbank	443-88-9(CAS DataBase Reference)
NIST chemische Informationen	2,6-Dimethylfluorobenzene(443-88-9)

Sicherheit

Kennzeichnung gefährlicher	F,Xn
R-Sätze:	10
S-Sätze:	16
RIDADR	UN 1993 3/PG 3
WGK Germany	3
Hazard Note	Flammable
HazardClass	3
PackingGroup	III
HS Code	29039990
Speicherklasse	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 3

Gefahreninformationscode (GHS)

2,6-Dimethylfluorobenzene Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R10:Entzündlich.
S-Sätze Betriebsanweisung:
S16:Von Zündquellen fernhalten - Nicht rauchen.
Chemische Eigenschaften
Colorless liquid
Verwenden
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
Synthese

87-62-7

443-88-9

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.
Einzelnachweise
[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 Upstream-Materialien And Downstream Produkte

2-Fluor-m-xylol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

443-88-9, 2,6-Dimethylfluorobenzene Verwandte Suche:

Send Inquriy