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About This Item
Linear Formula:
(ClC6H4)3CCH2CO2H
CAS Number:
Molecular Weight:
405.70
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.
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
Regulatory Information
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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
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.
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
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