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

CAS: 1982-47-4 Cat. No.: C114673 Formule: C₁₅H₁₅ClN₂O₂ Poids moléculaire: 290.74 Beilstein Registry Number: 2814275 Numéro CE: 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

Synonymes

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)-

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
• WGK Allemagne: 2
• RTECS: YS6125000
• Numéro ONU: 3077
• Groupe d'emballage: III
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): >100 °C
• Point d'éclair (°C): >100°C
• Point de fusion (°C): 151-152°C
• Poids moléculaire: 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

Références

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]

Foire aux questions

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.