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434027

1-Bromo-4-fluorobutane

Name: 1-Bromo-4-fluorobutane
Brand: ALDRICH

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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

Assay:

98%

Form:

liquid

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Properties

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.)

functional group

bromo, fluoro

SMILES string

FCCCCBr

InChI

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

InChI key

WMCUHRDQSHQNRW-UHFFFAOYSA-N

Description

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

GHS02,GHS07

signalword

Warning

hcodes

H226,H302 + H312 + H332,H315,H319,H335

pcodes

P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338

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

Regulatory Information

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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)

Synthesis and characterization of fluorinated and iodinated pyrrolopyrimidines as PET/SPECT ligands for the CRF1 receptor.

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)

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Global Trade Item Number

SKU	GTIN
434027-5G	04061837073526