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434027

Sigma-Aldrich

1-Bromo-4-fluorobutane

98%

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About This Item

Linear Formula:
F(CH2)4Br
CAS Number:
462-72-6
Molecular Weight:
155.01
MDL number:
MFCD00209551
UNSPSC Code:
12352100
PubChem Substance ID:
24867164
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.439 (lit.)

bp

134-135 °C (lit.)

density

1.444 g/mL at 25 °C (lit.)

SMILES string

FCCCCBr

InChI

1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2

InChI key

WMCUHRDQSHQNRW-UHFFFAOYSA-N

General description

1-Bromo-4-fluorobutane is an alkyl fluorinated building block used in chemical synthesis. It participates in the synthesis of monofluoro quaternary ammonium bromide.

Application

1-Bromo-4-fluorobutane may be used in the synthesis of the following:
  • fluoroalkyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]alkylamines
  • 1-azido-4-fluorobutane
  • 4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

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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In a search for estrogen receptor (ER) ligands to be radiolabeled with fluorine-18 for imaging of ER-positive breast tumors with positron emission tomography (PET), we investigated cyclofenil analogues substituted at the C3 or C4 position of the cyclohexyl group. McMurry
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L Martarello et al.
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Fluorine-18 labeled fluorobutyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo [2,3-d] pyrimidin-4-yl]ethylamine (FBPPA) and iodine-123 labeled butyl[2,5-dimethyl-7-(4-iodo-2,6-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethyl-amine (IBPPA) were synthesized in the development of a CRF receptor ligand. The methods of synthesis, in vitro binding assays, radiolabeling and in vivo tissue distribution in rats are described. Fluorine-18
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N-Alkylated (S)-7-halogen-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatins were developed as a new group of nonradioactive reference compounds for future radiotracers. Inhibitor potency studies of these compounds suggest that the binding pockets readily accommodate both the 7-halogen substituents and aliphatic side chains (methyl to n-butyl) as

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