94-74-6
Product Name:
2-Methyl-4-chlorophenoxyacetic acid
Formula:
C9H9ClO3
Synonyms:
(4-Chloro-2-methylphenoxy)acetic acid solution;4-Chloro-o-tolyloxyacetic acid;4-Chloro-2-methylphenoxyacetic acid;MCPA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Hawley] Slightly beige solid; [MSDSonline] |
|---|---|
| Color/Form | White to light brown solid flakes, crystal powder or liquid. |
| Melting Point | 118-119 °C |
| Solubility | Solubility: in water 270 g/l, methanol 340 g/l, benzene 1 g/l /2-Methyl-4-chlorophenoxyacetic acid sodium salt/ |
| Density | 1.56 @ 25 °C/15.5 °C |
| Vapor Pressure | 0.0000059 [mmHg] |
| LogP | log Kow = 3.25 |
| Henry's Law Constant | Henry's Law constant= 4.8X10-10 atm-cu m/mole @ 25 °C |
| Stability/Shelf Life | NONVOLATILE |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride and nitrogen oxides/. |
| Corrosivity | Non-corrosive |
| Dissociation Constants | pKa= 3.13 |
| Collision Cross Section | 146.16 Ų [M-H]- |
| Other Experimental Properties | The acid, pka 3.07, forms water sol alkali metal and amine salts, though precipitation of calcium or magnesium salts may occur with hard water. |
| Chemical Classes | Pesticides -> Herbicides, Chlorophenoxy |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 200.62 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 200.0240218 g/mol |
| Monoisotopic Mass | 200.0240218 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 184 |
| 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
(4-chloro-2-methylphenoxy)acetic acid is a chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. It has a role as a synthetic auxin, an environmental contaminant and a phenoxy herbicide. It is a chlorophenoxyacetic acid and a member of monochlorobenzenes.