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Key Documents

330841

Sigma-Aldrich

5-Bromo-1,2,3-trifluorobenzene

99%

Synonym(s):

1-Bromo-3,4,5-trifluorobenzene

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About This Item

Linear Formula:
BrC6H2F3
CAS Number:
Molecular Weight:
210.98
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

form

liquid

refractive index

n20/D 1.482 (lit.)

bp

47-49 °C/60 mmHg (lit.)

density

1.767 g/mL at 25 °C (lit.)

SMILES string

Fc1cc(Br)cc(F)c1F

InChI

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

InChI key

HKJCELUUIFFSIN-UHFFFAOYSA-N

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Application

5-Bromo-1,2,3-trifluorobenzene was used in flow preparation of 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 2 - Carc. 2 - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

113.0 °F - closed cup

Flash Point(C)

45 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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James A Newby et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 20(1), 263-271 (2013-12-18)
Conducting low-temperature organometallic reactions under continuous flow conditions offers the potential to more accurately control exotherms and thus provide more reproducible and scalable processes. Herein, progress towards this goal with regards to the lithium-halogen exchange/borylation reaction is reported. In addition

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