196827
2,3,5,6-Tetrafluorotoluene
99%
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About This Item
Linear Formula:
HC6F4CH3
CAS Number:
Molecular Weight:
164.10
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
226-028-5
MDL number:
assay
99%
refractive index
n20/D 1.42 (lit.)
bp
125-126 °C (lit.)
density
1.347 g/mL at 25 °C (lit.)
SMILES string
Cc1c(F)c(F)cc(F)c1F
InChI
1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChI key
POMGTQLCZJZYAM-UHFFFAOYSA-N
General description
Direct arylation reaction of 2,3,5,6-tetrafluorotoluene with various arylhalides has been investigated.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
73.4 °F - closed cup
flash_point_c
23 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Marc Lafrance et al.
Journal of the American Chemical Society, 128(27), 8754-8756 (2006-07-06)
Penta-, tetra-, tri-, and difluorobenzenes undergo direct arylation with a wide range of arylhalides in high yield. Inverse reactivity is observed compared to the common electrophilic aromatic substitution pathway since electron-deficient, C-H acidic arenes react preferentially. Computational studies indicate that