34123-59-6
Product Name:
Isoproturon
Formula:
C12H18N2O
Synonyms:
3-(4-Isopropylphenyl)-1,1-dimethylurea
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless crystals |
|---|---|
| Melting Point | 158 °C |
| Flash Point | 100 °C (212 °F) - closed cup |
| Solubility | In water, 65 mg/L at 22 °C |
| Density | 1.2 at 20 °C |
| Vapor Pressure | 9.1X10-3 mPa /2.47X10-8 mm Hg/ at 25 °C |
| LogP | log Kow = 2.87 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/. |
| Ionization Efficiency | Positive |
| Collision Cross Section | 150.75 Ų [M+H]+ [CCS Type: TW] |
| Other Experimental Properties | Very stable to light, acids and alkalies. Hydrolytically cleaved by strong alkalies on heating. |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H351:Carcinogenicity H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.28 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.141913202 g/mol |
| Monoisotopic Mass | 206.141913202 g/mol |
| Topological Polar Surface Area | 32.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 206 |
| 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
Isoproturon is a member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties. It has a role as an environmental contaminant, a xenobiotic, a herbicide and an agrochemical.