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Sigma-Aldrich

4-Bromo-3-fluorotoluene

98%

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About This Item

Linear Formula:
CH3C6H3(Br)F
CAS Number:
452-74-4
Molecular Weight:
189.02
MDL number:
MFCD00040940
UNSPSC Code:
12352100
PubChem Substance ID:
24865423
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.53 (lit.)

bp

95 °C/50 mmHg (lit.)

density

1.494 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(Br)c(F)c1

InChI

1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

InChI key

SLFNGVGRINFJLK-UHFFFAOYSA-N

General description

4-Bromo-3-fluorotoluene (1-bromo-2-fluoro-4-methylbenzene) is an aryl fluorinated building block. Synthesis of 4-bromo-3-fluorotoluene from o-nitro-p-toluidine (Fast Red Base GL), via diazo reaction at high temperature, Sandmeyer reaction, reduction and Schiemann reaction has been reported. Its density and refractive index have been determined.

Application

4-Bromo-3-fluorotoluene may be used in the preparation of 1-(4-cyano-3- fluorobenzyl)-5-imidazolecarboxaldehyde and 1-bromo-4-bromomethyl-2-fluorobenzene.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

95.0 °F - closed cup

flash_point_c

35 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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J M Bergman et al.
Bioorganic & medicinal chemistry letters, 11(11), 1411-1415 (2001-05-30)
A series of aryloxy substituted piperazinones with dual farnesyltransferase/geranylgeranyltransferase-I inhibitory activity was prepared. These compounds were found to have potent inhibitory activity in vitro and are promising agents for the inhibition of Ki-Ras signaling.
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 91-91 (2015)
SYNTHESIS OF 4-CHLORO-3-FLUOROTOLUENE AND 4-BROMO-3-FLUOROTOLUENE [J].
Tao ZHXXJ.
Speciality Petrochemicals, 1, 014-014 (2007)
Ilaria Peretto et al.
Journal of medicinal chemistry, 48(18), 5705-5720 (2005-09-02)
Flurbiprofen, a nonsteroidal antiinflammatory drug (NSAID), has been recently described to selectively inhibit beta-amyloid(1)(-)(42) (Abeta42) secretion, the most toxic component of the senile plaques present in the brain of Alzheimer patients. The use of this NSAID in Alzheimer's disease (AD)
Isaac T Schiefer et al.
Journal of medicinal chemistry, 54(7), 2293-2306 (2011-03-17)
Poor blood-brain barrier penetration of nonsteroidal anti-inflammatory drugs (NSAIDs) has been blamed for the failure of the selective amyloid lowering agent (SALA) R-flurbiprofen in phase 3 clinical trials for Alzheimer's disease (AD). NO-donor NSAIDs (NO-NSAIDs) provide an alternative, gastric-sparing approach

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