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275190

Sigma-Aldrich

3,3,3-Tris(4-chlorophenyl)propionic acid

97%

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About This Item

Linear Formula:
(ClC6H4)3CCH2CO2H
CAS Number:
2168-06-1
Molecular Weight:
405.70
EC Number:
218-509-3
MDL number:
MFCD00010264
UNSPSC Code:
12352100
PubChem Substance ID:
24856633
NACRES:
NA.22

Assay

97%

mp

190-193 °C (lit.)

SMILES string

OC(=O)CC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3

InChI

1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)

InChI key

LHIVWYJOCNGZRI-UHFFFAOYSA-N

Gene Information

human ... MIF(4282)

Application

3,3,3-Tris(4-chlorophenyl)propionic acid was used as a potent inhibitor for Yersinia PTP(protein-tyrosine phosphatase) YopH.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Min Zhang et al.
Journal of the American Chemical Society, 141(40), 15879-15883 (2019-09-07)
We have investigated the mechanical dissociation of an ammonium/crown ether rotaxane using experimental (sonication) and computational (CoGEF) methods and found that it breaks faster than its noninterlocked or uncoupled interlocked (i.e., pulled from both sides of the axle) counterparts. This
Min Zhang et al.
Journal of the American Chemical Society, 140(40), 12724-12727 (2018-09-25)
Mechanical bonds are known to efficiently absorb mechanical energy at low forces, but their behavior at high forces is unknown. Here we investigate the impact of a mechanical bond on the rate of activation of a Diels-Alder mechanophore. Using a
Guillaume De Bo et al.
Journal of the American Chemical Society, 139(25), 8455-8457 (2017-06-18)
We report on the synthesis of [2]rotaxanes driven by stabilization of the axle-forming transition state. A bifunctional macrocycle, with hydrogen bond donors at one end and acceptors at the other, is used to stabilize the charges that develop during the
Fubo Liang et al.
The Journal of biological chemistry, 278(43), 41734-41741 (2003-07-31)
Yersinia are causative agents in human diseases ranging from gastrointestinal syndromes to Bubonic Plague. There is increasing risk of misuse of infectious agents, such as Yersinia pestis, as weapons of terror as well as instruments of warfare for mass destruction.

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