2,5-Dibromonitrobenzene - ≥98% , CAS No.3460-18-2

CAS: 3460-18-2 Cat. No.: D100656 Fórmula: C₆H₃Br₂NO₂ Peso molecular: 280.9 Beilstein Registry Number: 5250 Número EC: 222-404-8

GRADE & PURITY ≥98%

Synonyms

2,5-Dibromo Nitro Benzene | 1,4-Dibromo-2-nitrobenzene # | Z57160130 | FT-0606852 | AS-15894 | W-106720 | AM10747 | F0001-1006 | 1,4-Dibromo-2-nitrobenzene | 1,4-Dibromo-2-nitro-benzene | 2,5-Dibromonitrobenzene, 99% | DTXSID20188172 | 2,5-Dibromonitroben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,5-Dibromo Nitro Benzene | 1,4-Dibromo-2-nitrobenzene # | Z57160130 | FT-0606852 | AS-15894 | W-106720 | AM10747 | F0001-1006 | 1,4-Dibromo-2-nitrobenzene | 1,4-Dibromo-2-nitro-benzene | 2,5-Dibromonitrobenzene, 99% | DTXSID20188172 | 2,5-Dibromonitroben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185357
• Sonrisas canónicas: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
• IUPAC Name: 1,4-dibromo-2-nitrobenzene
• InChIKey: WRGKKASJBOREMB-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
• WGK Alemania: 2
• Número ONU: 2811
• Peso molecular: 280.9
• Beilstein: 5250
• Reaxy-Rn: 1950425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

• Solubilidad: Slightly soluble in water.
• Punto de fusión (°C): 81-85°C
• Peso molecular: 280.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 280.851 Da
• Monoisotopic Mass: 278.853 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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.

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 3460-18-2, the molecular formula is C6H3Br2NO2, and the molecular weight is 280.9 g/mol. InChIKey WRGKKASJBOREMB-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.