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120707

Sigma-Aldrich

Methyl 4-fluorobenzoate

98%

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About This Item

Linear Formula:
FC6H4CO2CH3
CAS Number:
403-33-8
Molecular Weight:
154.14
EC Number:
206-956-7
MDL number:
MFCD00017959
UNSPSC Code:
12352100
PubChem Substance ID:
24847426
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.494 (lit.)

bp

90-92 °C/20 mmHg (lit.)

density

1.192 g/mL at 25 °C (lit.)

SMILES string

COC(=O)c1ccc(F)cc1

InChI

1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChI key

MSEBQGULDWDIRW-UHFFFAOYSA-N

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Application

Methyl 4-fluorobenzoate can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

172.4 °F - closed cup

flash_point_c

78 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Dae-Kee Kim et al.
Bioorganic & medicinal chemistry letters, 18(14), 4006-4010 (2008-06-24)
A series of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH(2)-substituted benzyl moiety have been synthesized and evaluated for p38alpha MAP kinase inhibitory activity. Among them, compounds 22c, 27b, and 28b inhibited p38alpha
Rafał Frański et al.
Journal of mass spectrometry : JMS, 53(5), 379-384 (2018-02-15)
Gas phase decompositions of protonated methyl benzoate and its conjugates have been studied by using electrospray ionization-collision induced dissociation-tandem mass spectrometry. Loss of CO2 molecule, thus transfer of methyl group, has been observed. In order to better understand this process

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