2-(3-Chlorophenoxy)propionic acid
Category:
CAS:
Description:
2-(3-Chlorophenoxy)propionic acid (CAS# 101-10-0) is a useful research chemical.
| CID | 7542 |
| Deprecated CAS | 87860-36-4 |
| Synonyms | 2-(3-chlorophenoxy)propanoic acid |
| IUPAC Name | 2-(3-chlorophenoxy)propanoic acid |
| 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) |
| InChIKey | YNTJKQDWYXUTLZ-UHFFFAOYSA-N |
| EC Number | 202-915-2 |
Producut details
| Grade | 98%TC |
| Toxicity | Evidence in humans: limited; Overall summary evaluation of carcinogenic risk to humans is Group 2B. |
| Appearance | White to off-white crystalline powder |
| Boiling Point | 318.5 °C at 760 mmHg |
| Melting Point | 112-116 °C |
| Water | In water, 1200 mg/L at 22 °C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| 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 |
| Storage | 0-6 °C |
| Complexity | 184 |
| Exact Mass | 200.0240218 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Monoisotopic Mass | 200.0240218 |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5 Å2 |
| XLogP3 | 2.3 |
Our products are chemical reagents for research use only and are not intended for human use.
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