Related Searches: Isoproturon

Isoproturon(CAS No. 34123-59-6)

Isoproturon C12H18N2O (cas 34123-59-6) Molecular Structure

34123-59-6 Structure

Identification and Related Records

【Name】
Isoproturon
【Iupac name】
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
【CAS Registry number】
34123-59-6
【Synonyms】
N-(4-Isopropylphenyl)-N',N'-dimethyl urea
Alon
Arelon
Graminon
Tolkan
Isoproturon W.P.
【EINECS(EC#)】
251-835-4
【Molecular Formula】
C12H18N2O (Products with the same molecular formula)
【Molecular Weight】
206.29
【Inchi】
InChI=1/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
【InChIKey】
PUIYMUZLKQOUOZ-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
【MOL File】
34123-59-6.mol

Chemical and Physical Properties

【Appearance】
colorless solid
【Density】
1.05 g/cm3
【Melting Point】
155-156℃
【Boiling Point】
353.2 °C at 760 mmHg
【Refractive Index】
1.555
【Flash Point】
167.4 °C
【Solubilities】
65 mg/L (22 C)
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
APPROX 4°C
【Computed Properties】
Molecular Weight:206.28412 [g/mol]
Molecular Formula:C12H18N2O
XLogP3:2.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:206.141913
MonoIsotopic Mass:206.141913
Topological Polar Surface Area:32.3
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:15

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R40;R50/53
【Safety Statements 】
S36/37;S60;S61
【HazardClass】
9
【PackingGroup 】
III
【Transport】
UN 3077

Use and Manufacturing

【Usage】

Herbicide.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

Supplier Location

Top Suppliers

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FUGU COUNTY RUILONG BUSINESS CO., LTD.
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Business Type:Trading Company
Telephone:0086-10-62800266
lotuschem
Country:ChinaChina
Business Type:Manufacturer
Telephone:852-29738324
Chem-Base (Nantong) Laboratories Co.,Ltd.
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Jiangsu Hongze Chemical & Industry Co., Ltd
Country:ChinaChina
Telephone:+86-25-8620 6112

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