All Photos(1)
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
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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.[1] 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.[2]
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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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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