CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Amber or light yellow liquid; [HSDB] Light yellow liquid; [MSDSonline] |
|---|---|
| Color/Form | Amber liquid |
| Odor | Faint, sweet odor |
| Boiling Point | 156 °C at 0.5 mm Hg |
| Melting Point | <-5 °C |
| Flash Point | 114 °C (open cup); 93 °C (closed cup) |
| Solubility | Soluble in most organic solvents, including diethyl ether, acetone, benzene, ethanol, ethyl acetate, and hexane |
| Density | 1.070 g/mL at 25 °C |
| Vapor Pressure | 0.0000029 [mmHg] |
| LogP | log Kow = 4.5 |
| Henry's Law Constant | Henry's Law constant = 5.1X10-8 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable to UV light. Stable indefinitely </=45 °C. |
| Decomposition | Decomposes at 165 °C. |
| Viscosity | 37 cP at 25 °C |
| Corrosivity | No corrosion to No. 316 and No. 304 stainless steel, aluminum, and heresite, but corrodes steel and black iron |
| Collision Cross Section | 184.3 Ų [M+Na]+ |
| Kovats Retention Index | 2121 2129 2129 2123.7 2121 2132.9 2105.4 2133.2 2111.9 2128.6 |
| Other Experimental Properties | Stable to UV light. Decomposes at temperatures greater than or equal to 165 °C |
| Chemical Classes | Pesticides -> Herbicides, Chloracetanilide |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
| 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. P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 311.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 311.1652068 g/mol |
| Monoisotopic Mass | 311.1652068 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 287 |
| 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
Butachlor is an aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is an aromatic amide, an organochlorine compound and a tertiary carboxamide. It is functionally related to a N-phenylacetamide.