(4-Bromophenyl)urea - ≥98% , CAS No.1967-25-5

CAS: 1967-25-5 Cat. No.: B152706 Fórmula: C₇H₇BrN₂O Peso molecular: 215.05 Beilstein Registry Number: 12(3)1452 Número EC: 654-932-3

GRADE & PURITY ≥98%

Synonyms

DTXSID30173337 | Q27284546 | FT-0617916 | BS-4219 | PFQUUCXMPUNRLA-UHFFFAOYSA-N | N4K2D5WZSI | B2834 | InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) | UNII-N4K2D5WZSI | Z89283357 | (4-Bromophenyl)urea | (4-bromophenyl)-urea | A813865 | N

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID30173337 | Q27284546 | FT-0617916 | BS-4219 | PFQUUCXMPUNRLA-UHFFFAOYSA-N | N4K2D5WZSI | B2834 | InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) | UNII-N4K2D5WZSI | Z89283357 | (4-Bromophenyl)urea | (4-bromophenyl)-urea | A813865 | N

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182204
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182204
• Sonrisas canónicas: C1=CC(=CC=C1NC(=O)N)Br
• IUPAC Name: (4-bromophenyl)urea
• InChIKey: PFQUUCXMPUNRLA-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
• Isómeros SMILES: C1=CC(=CC=C1NC(=O)N)Br
• Peso molecular: 215.05
• Beilstein: 12(3)1452
• Reaxy-Rn: 2090140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090140&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Bromobenzenes Aryl bromides Ureas Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Urea - Carbonic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 227°C(lit.)
• Peso molecular: 215.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.974 Da
• Monoisotopic Mass: 213.974 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 1967-25-5, the molecular formula is C7H7BrN2O, and the molecular weight is 215.05 g/mol. InChIKey PFQUUCXMPUNRLA-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.