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Sigma-Aldrich

8-Fluoro-1-benzosuberone

96%

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About This Item

Empirical Formula (Hill Notation):
C11H11FO
CAS Number:
Molecular Weight:
178.20
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

96%

form

liquid

refractive index

n20/D 1.541 (lit.)

bp

84-86 °C/0.001 mmHg (lit.)

density

1.16 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc2CCCCC(=O)c2c1

InChI

1S/C11H11FO/c12-9-6-5-8-3-1-2-4-11(13)10(8)7-9/h5-7H,1-4H2

InChI key

INDIENDTRXERIX-UHFFFAOYSA-N

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Application

8-Fluoro-1-benzosuberone was employed in the synthesis of 9-bromo, 2-fluoro substituted, and Z-ring locked (by a trimethylene bridge at C-8 and C-11) crystalline fluorine-substituted derivative of cinnamaldehyde. It was also used in the synthesis of 9-bromo, 2-fluoro substituted, and Z-ring locked (by a trimethylene bridge at C8 and C11) crystalline fluorine substituted bicyclic ring-fused polyene bearing a δ-bromo-α,β,γ,δ-unsaturated ester unit.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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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Synthesis of 9-Bromo-2-fluoro-6, 7-dihydro-5H-benzocycloheptene-8-carboxaldehyde.
Silveira MH, et al.
Synthetic Communications, 39(8), 1367-1377 (2009)
Synthesis and Structure of 9-Bromo-2-fluoro-8-[ethyl,(E)-2-propenoate-3-yl]-6, 7-dihydro-5H-benzocycloheptene.
Silveira MH, et al.
Journal of Chemical Crystallography, 41(4), 458-463 (2011)

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