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345040

Sigma-Aldrich

4-Bromo-2-fluorotoluene

99%

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About This Item

Linear Formula:
CH3C6H3(Br)F
CAS Number:
Molecular Weight:
189.02
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

99%

form

liquid

refractive index

n20/D 1.529 (lit.)

solubility

water: insoluble

density

1.492 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(Br)cc1F

InChI

1S/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChI key

YZFVUQSAJMLFOZ-UHFFFAOYSA-N

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Application

4-Bromo-2-fluorotoluene may be used as starting reagent in the synthesis of 4-borono-2-fluorophenylalanine, useful reagent for positron emission tomographic (PET) studies. It may be used in the synthesis of methyl 4-bromo-2-methoxybenzoate.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

168.8 °F - closed cup

flash_point_c

76 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Synthesis of Methyl 4-Bromo-2-methoxybenzoate.
Zhao HY and Chen BH.
Chinese Journal of Pharmaceuticals / Chung-kuo i yao kung yeh tsa chih, 39(2), 92-92 (2008)
Synthesis of 4-borono-2-fluorophenylalanine.
Kabalka GW, et al.
Organic Prep. and Proc. Int., 32(3), 290-293 (2000)

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