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About This Item
Linear Formula:
BrC6H4CH=CHCO2H
CAS Number:
Molecular Weight:
227.05
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
95%
form
solid
mp
216-219 °C (lit.)
SMILES string
[H]\C(=C(\[H])c1ccccc1Br)C(O)=O
InChI
1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChI key
OMHDOOAFLCMRFX-AATRIKPKSA-N
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.
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
11 - Combustible Solids
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)
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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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