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Sigma-Aldrich

trans-2-Bromocinnamic acid

95%

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About This Item

Linear Formula:
BrC6H4CH=CHCO2H
CAS Number:
7345-79-1
Molecular Weight:
227.05
MDL number:
MFCD00016836
UNSPSC Code:
12352100
PubChem Substance ID:
24870409

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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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