ChemicalBook > CAS DataBase List > 2,6-Dimethylfluorobenzene

2,6-Dimethylfluorobenzene

Product Name
2,6-Dimethylfluorobenzene
CAS No.
443-88-9
Chemical Name
2,6-Dimethylfluorobenzene
Synonyms
2-FLUORO-1,3-DIMETHYLBENZENE;2-FLUORO-M-XYLENE;Fluoroxylene3;FLUORO-M-XYLENE;2-Fluoro-m-xylene>2-Fluoro-m-xylene,98%;2,6-DIMETHYLFLUOROBENZENE;2,5-DIMETHYLFLUOROBENZENE;1-FLUORO-2,6-DIMETHYLBENZENE;1,3-dimethyl-2-fluorobenzene
CBNumber
CB4367264
Molecular Formula
C8H9F
Formula Weight
124.16
MOL File
443-88-9.mol
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2,6-Dimethylfluorobenzene Property

Boiling point:
147-148 °C(lit.)
Density 
0.988 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.479(lit.)
Flash point:
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
452866
Product name
2-Fluoro-1,3-dimethylbenzene
Purity
97%
Packaging
5ml
Price
$87.3
Updated
2023/06/20
TCI Chemical
Product number
F0402
Product name
2-Fluoro-m-xylene
Purity
>98.0%(GC)
Packaging
5g
Price
$39
Updated
2025/07/31
TCI Chemical
Product number
F0402
Product name
2-Fluoro-m-xylene
Purity
>98.0%(GC)
Packaging
25g
Price
$189
Updated
2025/07/31
TRC
Product number
D465758
Product name
2,6-Dimethylfluorobenzene
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
D465758
Product name
2,6-Dimethylfluorobenzene
Packaging
500mg
Price
$65
Updated
2021/12/16
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2,6-Dimethylfluorobenzene Chemical Properties,Usage,Production

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

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.

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

Preparation Products

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2,6-Dimethylfluorobenzene Suppliers

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View Lastest Price from 2,6-Dimethylfluorobenzene manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
2,6-Dimethylfluorobenzene 443-88-9
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-29
Speranza Chemical Co., Ltd.
Product
2,6-dimethylfluorobenzene 443-88-9
Price
US $20.00/ASSAYS
Min. Order
1ASSAYS
Purity
99%
Supply Ability
200MT/ year
Release date
2020-03-11
Henan Fengda Chemical Co., Ltd
Product
2,6-Dimethylfluorobenzene 443-88-9
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-25

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