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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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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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)
Synthesis of 9-Bromo-2-fluoro-6, 7-dihydro-5H-benzocycloheptene-8-carboxaldehyde.
Silveira MH, et al.
Synthetic Communications, 39(8), 1367-1377 (2009)

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