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347299

Sigma-Aldrich

2,6-Difluorotoluene

99%

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About This Item

Linear Formula:
CH3C6H3F2
CAS Number:
443-84-5
Molecular Weight:
128.12
MDL number:
MFCD00043898
UNSPSC Code:
12352100
PubChem Substance ID:
24861477
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.453 (lit.)

bp

112 °C/740 mmHg (lit.)

density

1.129 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Cc1c(F)cccc1F

InChI

1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChI key

MZLSNIREOQCDED-UHFFFAOYSA-N

General description

2,6-Difluorotoluene reacts with chlorine to give 2,6-difluorobenzyl chloride, which gets converted to 2,6-difluorobenzaldehyde through Sommelet′s reaction. Six-fold potential for internal methyl rotation in first singlet excited state and cation ground state of 2,6-difluorotoluene has been determined.

Application

2,6-Difluorotoluene was used to generate jet-cooled 2,6-difluorobenzyl radical and to investigate its vibronically resolved emission spectra.

accessory

Product No.
Description
Pricing

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Precautionary Statements

P210

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

50.0 °F - closed cup

Flash Point(C)

10 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP2897
MKBR8076V
MKBL6665V
10615PH
U22632

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Observation of vibronic emission spectrum of the jet-cooled 2, 6-difluorobenzyl radical.
Lee SK and Baek DY.
The Journal of Physical Chemistry A, 104(22), 5219-5221 (2000)
Methyl Group Internal Rotation in 2, 6-Difluorotoluene (S1) and 2, 6-Difluorotoluene+ (D0).
Walker RA, et al.
The Journal of Physical Chemistry, 99(33), 12422-12433 (1995)
Preparation of 2, 6-difluoro-n-alkylbenzenes from 1, 3-difluorobenzene Transformation of 2, 6-difluorotoluene to the corresponding benzaldehyde via benzyl chloride.
Malykhin EV and Shteingarts VD.
Journal of Fluorine Chemistry, 9(1), 19-20 (1998)

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