Chloroxuron - analytical standard , CAS No.1982-47-4

CAS: 1982-47-4 Cat. No.: C114673 分子式: C₁₅H₁₅ClN₂O₂ 分子量: 290.74 Beilstein Registry Number: 2814275 EC番号: 217-843-7

GRADE & PURITY Analytical standard

Synonyms

HSDB 980 | CHLOROXURON | CHLOROXURON [ISO] | Chloroxyfenidim | 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-d'methyluree [French] | N'-4-(4-Chlorophenoxy)phenyl-N,N-dimethylurea | 3-[4-(4-Chlorophenoxy)phenyl]-1,1-dimethylurea | Urea, 3-(p-(p-chlorophenoxy)phenyl)-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

HSDB 980 | CHLOROXURON | CHLOROXURON [ISO] | Chloroxyfenidim | 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-d'methyluree [French] | N'-4-(4-Chlorophenoxy)phenyl-N,N-dimethylurea | 3-[4-(4-Chlorophenoxy)phenyl]-1,1-dimethylurea | Urea, 3-(p-(p-chlorophenoxy)phenyl)-

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• カノニカル・スマイル: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
• IUPAC Name: 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
• InChIKey: IVUXTESCPZUGJC-UHFFFAOYSA-N
• INCHI: 1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
• 異性体SMILES: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
• WGKドイツ: 2
• RTECS: YS6125000
• UN番号: 3077
• 包装グループ: III
• 分子量: 290.74
• Beilstein: 2814275
• Reaxy-Rn: 2814275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2814275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers N-phenylureas Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - N-phenylurea - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Carbonic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

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

関連ターゲット（人間）

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: >100 °C
• 引火点（°C）: >100°C
• 融点（°C）: 151-152°C
• 分子量: 290.740 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 290.082 Da
• Monoisotopic Mass: 290.082 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Liu Yaqing, Lin Xiaodong, Ji Xiangyi, Hao Zhe, Tao Zhanhui.  (2020)  Smartphone-based enzyme-free fluorescence sensing of organophosphate DDVP.  MICROCHIMICA ACTA,  187  (7): (1-8).  [PMID:32613298] [10.1007/s00604-020-04384-7]

よくある質問

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1982-47-4, the molecular formula is C15H15ClN2O2, and the molecular weight is 290.74 g/mol. InChIKey IVUXTESCPZUGJC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.