All Photos(1)
About This Item
Linear Formula:
CH3C6H3(Br)F
CAS Number:
Molecular Weight:
189.02
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
refractive index
n20/D 1.531 (lit.)
bp
169 °C/756 mmHg (lit.)
density
1.507 g/mL at 25 °C (lit.)
SMILES string
Cc1ccc(F)c(Br)c1
InChI
1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI key
QLRKALMVPCQTMU-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
163.4 °F - closed cup
Flash Point(C)
73 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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New syntheses of benzobarrelenes.
Pu L and Grubbs RH.
The Journal of Organic Chemistry, 59(6), 1351-1353 (1994)
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
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