2-(3-Chlorophenoxy)propionic acid - CAS 101-10-0
Catalog: |
BB000439 |
Product Name: |
2-(3-Chlorophenoxy)propionic acid |
CAS: |
101-10-0 |
Synonyms: |
2-(3-chlorophenoxy)propanoic acid |
IUPAC Name: | 2-(3-chlorophenoxy)propanoic acid |
Description: | 2-(3-Chlorophenoxy)propionic acid (CAS# 101-10-0) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | CC(C(=O)O)OC1=CC(=CC=C1)Cl |
InChI: | InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12) |
InChI Key: | YNTJKQDWYXUTLZ-UHFFFAOYSA-N |
Boiling Point: | 318.5 °C at 760 mmHg |
Melting Point: | 112-116 °C |
Purity: | 95 % |
Density: | 1.307 g/cm3 |
Solubility: | In acetone 790.9, dimethyl sulfoxide 268.5, ethanol 710.8, methanol 716.5, iso-octanol 247.3 |
Appearance: | White to off-white crystalline powder |
Shelf Life: | Limited shelf life, expiry date on the label |
Storage: | 0-6 °C |
Decomposition: | When heated to decomposition it emits toxic /hydrogen/ chloride vapors |
MDL: | MFCD00009723 |
LogP: | 2.19190 |
Stability: | Highly stable |
Vapor Pressure: | 0.000228 [mmHg] |
GHS Hazard Statement: | H302 (96.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
JP-2021152037-A | Heterocyclic amide compound | 20210611 |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
PMID | Publication Date | Title | Journal |
22837696 | 20120101 | Herbicide-intercalated zinc layered hydroxide nanohybrid for a dual-guest controlled release formulation | International journal of molecular sciences |
17462127 | 20070301 | Analysis of some chlorophenoxy acids and carbamate herbicides in water and soil as amide derivatives using gas chromatography-mass spectrometry | Journal of chromatographic science |
15820866 | 20050501 | Determination of the absolute configuration of chiral alpha-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
11589282 | 20010901 | Enantiomeric separation of chiral phenoxy acid herbicides by electrokinetic chromatography. Application to the determination of analyte-selector apparent binding constants for enantiomers | Electrophoresis |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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