2-(4-Chlorophenyl)-3-methylbutyric acid - CAS 2012-74-0
Catalog: |
BB015666 |
Product Name: |
2-(4-Chlorophenyl)-3-methylbutyric acid |
CAS: |
2012-74-0 |
Synonyms: |
2-(4-chlorophenyl)-3-methylbutanoic acid |
IUPAC Name: | 2-(4-chlorophenyl)-3-methylbutanoic acid |
Description: | 2-(4-Chlorophenyl)-3-methylbutanoic Acid can be used for the multi-residue analysis of organic pollutants in hair and urine for matrices composition. |
Molecular Weight: | 212.67 |
Molecular Formula: | C11H13ClO2 |
Canonical SMILES: | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O |
InChI: | InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14) |
InChI Key: | VTJMSIIXXKNIDJ-UHFFFAOYSA-N |
Boiling Point: | 318.7 °C at 760 mmHg |
Density: | 1.184 g/cm3 |
Appearance: | White to brown powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD00037763 |
LogP: | 3.16420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112321419-A | Separation and drying process for preparing intermediate of 2-4- (chlorphenyl) -3-methylbutyryl chloride | 20201110 |
CN-112341330-A | Acidification reaction process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride | 20201029 |
WO-2021041278-A2 | Compositions and methods relating to insecticides | 20190823 |
WO-2021022059-A1 | Synergistic mixtures for arthropod toxicity and repellency | 20190730 |
WO-2020251964-A1 | Compositions targeting sperm calcineurin | 20190610 |
PMID | Publication Date | Title | Journal |
21538372 | 20110901 | A sensitivity-improved enzyme-linked immunosorbent assay for fenvalerate: a new approach for hapten synthesis and application to tea samples | Journal of the science of food and agriculture |
21582443 | 20090306 | 3-Mesityl-2-oxo-1-oxaspiro-[4.4]non-3-en-4-yl 4-chloro-benzoate | Acta crystallographica. Section E, Structure reports online |
21581638 | 20081220 | 3-Mesityl-2-oxo-1-oxaspiro-[4.4]non-3-en-4-yl 2-(4-chloro-phen-yl)-3-methyl-butyrate | Acta crystallographica. Section E, Structure reports online |
17576809 | 20070901 | Identification of rat and human cytochrome p450 isoforms and a rat serum esterase that metabolize the pyrethroid insecticides deltamethrin and esfenvalerate | Drug metabolism and disposition: the biological fate of chemicals |
16910721 | 20060823 | Uptake and transformation of pesticide metabolites by duckweed (Lemna gibba) | Journal of agricultural and food chemistry |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0604073 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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