3,3'-Dichloropivalic acid - CAS 67329-11-7
Catalog: |
BB033248 |
Product Name: |
3,3'-Dichloropivalic acid |
CAS: |
67329-11-7 |
Synonyms: |
3-chloro-2-(chloromethyl)-2-methylpropanoic acid |
IUPAC Name: | 3-chloro-2-(chloromethyl)-2-methylpropanoic acid |
Description: | 3,3'-Dichloropivalic acid (CAS# 67329-11-7) is used in preparation of Indole derivatives as selective agonists of NURR-1/RXRα and NURR-1/RXRγ heterodimers for treatment of Parkinson's disease. |
Molecular Weight: | 171.02 |
Molecular Formula: | C5H8Cl2O2 |
Canonical SMILES: | CC(CCl)(CCl)C(=O)O |
InChI: | InChI=1S/C5H8Cl2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9) |
InChI Key: | DDSPBKFTRPWDLI-UHFFFAOYSA-N |
Boiling Point: | 233.5 ℃ at 760 mmHg |
Melting Point: | 64-66 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.33 g/cm3 |
LogP: | 1.55490 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3075953-A1 | Ionic polymers and use thereof in biomass processing | 20170919 |
WO-2019058270-A1 | IONIC POLYMERS AND ASSOCIATED USE IN THE TREATMENT OF A BIOMASS | 20170919 |
CN-111356711-A | Ionic polymers and their use in biomass processing | 20170919 |
EP-3684827-A1 | Ionic polymers and use thereof in biomass processing | 20170919 |
US-2020246785-A1 | Ionic polymers and use thereof in biomass processing | 20170919 |
PMID | Publication Date | Title | Journal |
14989660 | 20040308 | Functionalized macrocycles from functionalized tetra-amines: pendent-arm macrocycles derived from dichloropivalic acid | Inorganic chemistry |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9901349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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