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Merck

434027

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
NACRES:
NA.22
PubChem Substance ID:
24867164
UNSPSC Code:
12352100
MDL number:
MFCD00209551

Key Documents

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Product Name

1-Bromo-4-fluorobutane, 98%

InChI

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

SMILES string

FCCCCBr

InChI key

WMCUHRDQSHQNRW-UHFFFAOYSA-N

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.)

functional group

bromo
fluoro

Quality Level

100

Related Categories

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

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

113.0 °F - closed cup

flash_point_c

45 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX2919
MKCW5109
MKCW8495
MKCW5216
MKBW5522V

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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)
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
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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