247987
1-Bromo-2,4,6-trifluorobenzene
99%
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About This Item
Linear Formula:
BrC6H2F3
CAS Number:
Molecular Weight:
210.98
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
219-125-9
MDL number:
Product Name
1-Bromo-2,4,6-trifluorobenzene, 99%
InChI key
PZBSPSOGEVCRQI-UHFFFAOYSA-N
InChI
1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
SMILES string
Fc1cc(F)c(Br)c(F)c1
assay
99%
form
liquid
refractive index
n20/D 1.485 (lit.)
bp
140.5 °C (lit.)
mp
3.5 °C (lit.)
density
1.79 g/mL at 25 °C (lit.)
General description
1-Bromo-2,4,6-trifluorobenzene exhibits packing polymorphism in two nonidentical solid-state phases. 1-Bromo-2,4,6-trifluorobenzene participates in Pd-catalyzed oxidative Heck reaction with allyl ester.
signalword
Warning
hcodes
Hazard Classifications
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
136.4 °F - closed cup
flash_point_c
58 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Zejiang Li et al.
Organic letters, 14(1), 74-77 (2011-12-14)
An efficient Pd(II)-catalyzed direct olefination of perfluoroarenes with allyl esters is demonstrated. Under the typical conditions, the coupling reaction of fluorinated-arenes with allylic esters proceeded via a β-H elimination rather than a β-OAc elimination to give the corresponding γ-substituted allylic
Harry G Brittain
Journal of pharmaceutical sciences, 101(2), 464-484 (2011-10-13)
Papers and patents that deal with polymorphism (crystal systems for which a substance can exist in structures defined by different unit cells and where each of the forms has the same elemental composition) and solvatomorphism (systems where the crystal structures
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