17383
Benzene-1,3,5-triacetic acid
≥97.0% (T)
Synonym(s):
1,3,5-Tris(carboxymethyl)benzene
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About This Item
Empirical Formula (Hill Notation):
C12H12O6
CAS Number:
Molecular Weight:
252.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
9300288
Product Name
Benzene-1,3,5-triacetic acid, ≥97.0% (T)
InChI
1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)
SMILES string
OC(=O)Cc1cc(CC(O)=O)cc(CC(O)=O)c1
InChI key
AJEIBHNKBLRDNT-UHFFFAOYSA-N
assay
≥97.0% (T)
form
powder
functional group
carboxylic acid
Quality Level
Related Categories
Other Notes
Building block and core molecule for generating diverse libraries in combinatorial chemistry; preparation of giant propeller molecules
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
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
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J.S. Bradshaw et al.
Journal of Heterocyclic Chemistry, 35, 519-519 (1998)
T Carell et al.
Chemistry & biology, 2(3), 171-183 (1995-03-01)
The increasing interest in combinatorial chemistry as a tool for the development of therapeutics has led to many new methods of creating molecular libraries of potential lead compounds. Current methods have made it possible to develop libraries of several million
S. Brandl et al.
J. Prakt. Chem., 338, 451-451 (1996)
L. Tong et al.
Journal of the American Chemical Society, 119, 7291-7291 (1997)
Tomohisa Sawada et al.
Nature communications, 10(1), 5687-5687 (2019-12-14)
Cavity creation is a key to the origin of biological functions. Small cavities such as enzyme pockets are created simply through liner peptide folding. Nature can create much larger cavities by threading and entangling large peptide rings, as learned from
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