Solução de clorotolurão em metanol - 100μg/mL em metanol, incerteza 3% , CAS No.15545-48-9

CAS: 15545-48-9 Cat. No.: BWY397407 Fórmula: C₁₀H₁₃ClN₂O Peso molecular: 212.68 Beilstein Registry Number: 2647688 Número CE: 239-592-2

GRADE & PURITY 100μg/mL in Methanol,uncertainty 3%

Synonyms

SCHEMBL64782 | HMS557B09 | HSDB 2760 | KS-5366 | CHEBI:81981 | CHLOROTOLURON [HSDB] | MFCD00018275 | N'-(3-Chloro-4-methylphenyl)-N,N-dimethylurea | N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea | Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl- | DivK1c_001775

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

SCHEMBL64782 | HMS557B09 | HSDB 2760 | KS-5366 | CHEBI:81981 | CHLOROTOLURON [HSDB] | MFCD00018275 | N'-(3-Chloro-4-methylphenyl)-N,N-dimethylurea | N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea | Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl- | DivK1c_001775

Especificações e pureza

100μg/mL em metanol, incerteza 3%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
• IUPAC Name: 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
• InChIKey: JXCGFZXSOMJFOA-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
• SMILES isoméricas: CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
• WGK Alemanha: 3
• RTECS: YS7230000
• Número UN: 3077
• Peso molecular: 212.68
• Beilstein: 2647688
• Reaxy-Rn: 2647688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2647688&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Toluenes Chlorobenzenes Aryl chlorides Ureas Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Carbonic acid derivative - Urea - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 147-148°C
• Peso molecular: 212.670 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.072 Da
• Monoisotopic Mass: 212.072 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 208.000
• 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

Perguntas frequentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 15545-48-9, the molecular formula is C10H13ClN2O, and the molecular weight is 212.68 g/mol. InChIKey JXCGFZXSOMJFOA-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.