467421
trans-2-Bromocinnamic acid
95%
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About This Item
Linear Formula:
BrC6H4CH=CHCO2H
CAS Number:
Molecular Weight:
227.05
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
InChI
1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
SMILES string
[H]\C(=C(\[H])c1ccccc1Br)C(O)=O
InChI key
OMHDOOAFLCMRFX-AATRIKPKSA-N
assay
95%
form
solid
mp
216-219 °C (lit.)
General description
trans-2-Bromocinnamic acid is an acid. Dissociation equilibrium constant (pKa) of trans-2-bromocinnamic acid and its reactive extraction behavior have been investigated.
Application
trans-2-Bromocinnamic acid may be employed for the syntheisis of fluorescent hEP3R ligands.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Miriam Tomasch et al.
ACS medicinal chemistry letters, 3(9), 774-779 (2012-09-13)
Exchange of the lipophilc part of ortho-substituted cinnamic acid lead structures with different small molecule fluorophoric moieties via a dimethylene spacer resulted in hEP3R ligands with affinities in the nanomolar concentration range. Synthesized compounds emit fluorescence in the blue, green
Prediction of pK a Values of Extractant Using Novel Quantitative Structure-Property Relationship Models.
Shan X, et al.
Journal of Chemical and Engineering Data, 53(2), 331-334 (2008)
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