Methyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoate
Basic information
- CAS
21340-68-1- Standard SMILES
COC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
CLJAWWBXVXWHFD-UHFFFAOYSA-N- Molecular formula
- C17H17ClO3
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0866221
Overview
Methyl clofenapate is a white powder. (NTP, 1992)
Names & identifiers
- Preferred name
- Methyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoate
- IUPAC
- methyl 2-[4-(4-chlorophenyl)phenoxy]-2-methylpropanoate
- English name
- Methyl clofenapate
- Molecular formula
- C17H17ClO3
- Molecular weight
- 304.77
Names & synonyms
Methyl clofenapate21340-68-1CLOFENAPATEICI 54856 methyl esterF54J2WV8PXDTXSID8020836Propanoic acid, 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methyl-, methyl esterICI-54856 METHYL ESTERMethyl-2-(4-(p-chlorophenyl)phenoxy)-2-methylpropionateMethylclofenapateMethyl 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methylpropanoatePropionic acid, 2-((4'-chloro-4-biphenylyl)oxy)-2-methyl-, methyl ester
Show more names
Methyl Clofenopate2-[[4'-Chloro-1,1'-biphenyl-4-yl]oxy]-2-methylpropionic acid methyl ester
Clofenapate, MethylMethyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoatePropanoic acid, 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methyl-, methyl esterICI55695ICI 55695RefChem:813075DTXCID20836methyl 2-[4-(4-chlorophenyl)phenoxy]-2-methylpropanoate
Database identifiers
- CAS
21340-68-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Physical DescriptionMethyl clofenapate is a white powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 419.15 °C · 419.15°C (rough estimate)
- Density
- 1.1483 · 1.1483 (rough estimate)
- refractive index
- 1.4585 · 1.4585 (estimate)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 54 J2WV8PX · F54J2WV8PX
- EPA Substance Registry System
- 2 · Propanoic acid, 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]-2-methyl-, methyl ester (21340-68-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
A halogenated ester derivative. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Applications
UsesMethyl clofenapate (Clofenapate methyl ester; MCP) is a peroxisome proliferator, which can induce hypolipidemia, peroxisome proliferation, and hepatocarcinogenesis[1].
General DescriptionWhite powder.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…