337013
3-Bromo-4-fluorotoluene
99%
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About This Item
Linear Formula:
CH3C6H3(Br)F
CAS Number:
Molecular Weight:
189.02
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-201-4
MDL number:
Assay:
99%
Product Name
3-Bromo-4-fluorotoluene, 99%
InChI key
QLRKALMVPCQTMU-UHFFFAOYSA-N
InChI
1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
SMILES string
Cc1ccc(F)c(Br)c1
assay
99%
refractive index
n20/D 1.531 (lit.)
bp
169 °C/756 mmHg (lit.)
density
1.507 g/mL at 25 °C (lit.)
functional group
bromo
fluoro
Application
3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.
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Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
163.4 °F - closed cup
flash_point_c
73 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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G Vaidyanathan et al.
Bioconjugate chemistry, 7(1), 102-107 (1996-01-01)
With 3-bromo-4-fluorotoluene as starting material, [4-fluoro-3-(trimethylsilyl)benzyl]guanidine was prepared in five steps in 1.5% overall yield. Radioiodination of this silicon precursor using N-chlorosuccinimide in trifluoroacetic acid at room temperature for 5 min gave (4-fluoro-3-[131I]-iodobenzyl)guanidine ([131I]FIBG) in 50-60% radiochemical yield. A byproduct
New syntheses of benzobarrelenes.
Pu L and Grubbs RH.
The Journal of Organic Chemistry, 59(6), 1351-1353 (1994)
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