347299
2,6-Difluorotoluene
99%
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About This Item
Linear Formula:
CH3C6H3F2
CAS Number:
Molecular Weight:
128.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
Form:
liquid
InChI
1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
SMILES string
Cc1c(F)cccc1F
InChI key
MZLSNIREOQCDED-UHFFFAOYSA-N
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
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.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
50.0 °F - closed cup
flash_point_c
10 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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)
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)
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