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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

Quality Level

100

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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L Martarello et al.
Nuclear medicine and biology, 28(2), 187-195 (2001-04-11)
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
Fluorinated Quaternary Ammonium Bromides: Studies on Their Tetrahydrofuran Hydrate Crystal Growth Inhibition and as Synergists with Polyvinylcaprolactam Kinetic Gas Hydrate Inhibitor.
Mady MF and Kelland MA.
Energy and Fuels, 27(9), 5175-5181 (2013)
Pyrazoles with a ?click? 4-[N-(4-fluorobutyl)-1,2,3-triazole] substituent in position 3 are nanomolar CB1 receptor ligands.
Distinto R, et al.
Journal of Fluorine Chemistry, 167, 184-191 (2014)
Jai Woong Seo et al.
Journal of medicinal chemistry, 49(8), 2496-2511 (2006-04-14)
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
Panupun Limpachayaporn et al.
Journal of medicinal chemistry, 57(22), 9383-9395 (2014-10-31)
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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