CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Odorless solid; [HSDB] White or off-white powder; [MSDSonline] |
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Color/Form | Prisms or needles from water |
Melting Point | 156.5 °C |
Solubility | In water, 957 mg/L at 25 °C |
Vapor Pressure | 0.000318 [mmHg] |
LogP | log Kow = 2.25 |
Stability/Shelf Life | It is stable at elevated temperatures (54 °C) and on exposure to metals, but degrades (30% loss in 24 hours) on exposure to sunlight. |
Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
Odor Threshold | Odorless |
Dissociation Constants | pKa = 3.56 |
Chemical Classes | Pesticides -> Herbicides, Chlorophenoxy |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
COMPUTED DESCRIPTORS
Molecular Weight | 186.59 g/mol |
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XLogP3 | 2.2 |
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 | 152 |
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-chlorophenoxy)acetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. It has a role as a phenoxy herbicide. It is a chlorophenoxyacetic acid and a member of monochlorobenzenes. It is a conjugate acid of a (4-chlorophenoxy)acetate.