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247987

1-Bromo-2,4,6-trifluorobenzene

99%

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About This Item

Linear Formula:
BrC6H2F3
CAS Number:
2367-76-2
Molecular Weight:
210.98
NACRES:
NA.22
PubChem Substance ID:
24854906
UNSPSC Code:
12352100
EC Number:
219-125-9
MDL number:
MFCD00000334
Assay:
99%
Form:
liquid
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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.)

SMILES string

Fc1cc(F)c(Br)c(F)c1

InChI

1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H

InChI key

PZBSPSOGEVCRQI-UHFFFAOYSA-N

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
BCBQ0442V
1404075V
1404075
1393606
02416EH

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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

Global Trade Item Number

SKUGTIN
247987-5G04061837071904