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Sigma-Aldrich

4-Bromo-2-fluorotoluene

99%

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About This Item

Linear Formula:
CH3C6H3(Br)F
CAS Number:
51436-99-8
Molecular Weight:
189.02
EC Number:
257-201-3
MDL number:
MFCD00013551
UNSPSC Code:
12352100
PubChem Substance ID:
24861289
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
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

168.8 °F - closed cup

Flash Point(C)

76 °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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Synthesis of 4-borono-2-fluorophenylalanine.
Kabalka GW, et al.
Organic Prep. and Proc. Int., 32(3), 290-293 (2000)
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)

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