Buturon Solution in Methanol - 1000μg/mL in Methanol,Uncertainty:2% , CAS No.3766-60-7

CAS: 3766-60-7 Cat. No.: BWY396135 Molecular Weight: 236.7 Beilstein Registry Number: 2941811 EC Number: 223-187-2

GRADE & PURITY 1000μg/mL in Methanol,Uncertainty:2%

Synonyms

BUTURON|3766-60-7|Butyron|Eptapur|Arisan|HS 95|H 95|3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea|N'-(4-Chlorophenyl)-N-isobutinyl-N-methylurea|1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea|1-(4-Chlorophenyl)-3-methyl-3-(1-methyl-2-propynyl)ur

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BUTURON | 3766-60-7 | Butyron | Eptapur | Arisan | HS 95 | H 95 | 3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea | N'-(4-Chlorophenyl)-N-isobutinyl-N-methylurea | 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea | 1-(4-Chlorophenyl)-3-methyl-3-(1-methyl-2-propynyl)ur

Specifications & Purity

1000μg/mL in Methanol, Uncertainty:2%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
• IUPAC Name: 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea
• InChIKey: BYYMILHAKOURNM-UHFFFAOYSA-N
• INCHI: 1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)
• Isomeric SMILES: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
• WGK Germany: 3
• RTECS: YS6475000
• Molecular Weight: 236.7
• Beilstein: 2941811
• Reaxy-Rn: 2941811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Chlorobenzenes Aryl chlorides Ureas Acetylides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Carbonic acid derivative - Acetylide - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Phenylurea herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): >100 °C
• Flash Point(°C): >100°C
• Molecular Weight: 236.700 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.072 Da
• Monoisotopic Mass: 236.072 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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3. Jiangyi Wu, Siyu Luo, Xiaojia Huang.  (2022)  Fabrication of monolith-based electrodes for simultaneous solid-phase microextraction of phenylurea and sulfonylurea herbicides assisted by electric field.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140786]

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18. Zichen Zhao, Ruiyang Ma, Juntao Wang, Qing Zhang, Miao Jing, Chun Wang, Qiuhua Wu, Zhi Wang.  (2025)  Preparation of boric acid functionalized hyper-crosslinked polymer for efficient extraction of phenylurea herbicides from lake water, green tea drink and tomato samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40036914] [10.1016/j.chroma.2025.465823]

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