CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] Off-white powder; [MSDSonline] |
|---|---|
| Color/Form | Crystals from water |
| Melting Point | 110 °C |
| Solubility | Slightly soluble in chloroform. Soluble in ethanol and ether. Very soluble in benzene |
| Vapor Pressure | 0.000318 [mmHg] |
| LogP | log Kow = 2.03 |
| Dissociation Constants | pKa = 3.07 |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.59 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 186.0083718 g/mol |
| Monoisotopic Mass | 186.0083718 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Chlorophenoxyacetic acid is an aldoxime.