120707
Methyl 4-fluorobenzoate
98%
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About This Item
Linear Formula:
FC6H4CO2CH3
CAS Number:
Molecular Weight:
154.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-956-7
MDL number:
Assay:
98%
InChI key
MSEBQGULDWDIRW-UHFFFAOYSA-N
InChI
1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
SMILES string
COC(=O)c1ccc(F)cc1
assay
98%
Quality Level
bp
90-92 °C/20 mmHg (lit.)
density
1.192 g/mL at 25 °C (lit.)
functional group
ester, fluoro
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.
signalword
Danger
hcodes
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
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
Regulatory Information
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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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