2,4-Dinitrobromobenzene - ≥98%(GC) , CAS No.584-48-5

CAS: 584-48-5 Cat. No.: D155937 Summenformel: C₆H₃BrN₂O₄ Molekulargewicht: 247.00 Beilstein Registry Number: 5266 EG-Nummer: 209-539-8

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID3060403 | 1-Bromo-2,4-dinitrobenzene, 97% | 2-bromo-1,5-dinitrobenzene | o,p-Dinitrophenyl bromide | NSC3808 | NSC-3808 | 1-Bromo-2.4-dinitrobenzene | UNII-4MS3FTW380 | bromo-2,4-dinitrobenzene | NSC 3808 | Q27126388 | W-203191 | CHEBI:58999 | 4MS3F

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

1-Bromo-2,4-dinitrobenzene has been used: . in the preparation of 2,4-dinitrophenol via treatment with KO2-crown ether complex in benzene . as substrate in protein determination and glutathione S-transferase (GST) assay of chicken and rat prostaglandin D2 synthase (PGDS)

Specifications

Synonyme

DTXSID3060403 | 1-Bromo-2,4-dinitrobenzene, 97% | 2-bromo-1,5-dinitrobenzene | o,p-Dinitrophenyl bromide | NSC3808 | NSC-3808 | 1-Bromo-2.4-dinitrobenzene | UNII-4MS3FTW380 | bromo-2,4-dinitrobenzene | NSC 3808 | Q27126388 | W-203191 | CHEBI:58999 | 4MS3F

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504752124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752124
• Kanonisches Lächeln: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
• IUPAC Name: 1-bromo-2,4-dinitrobenzene
• InChIKey: PBOPJYORIDJAFE-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
• Isomere SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
• WGK Deutschland: 3
• RTECS: CY9021500
• Molekulargewicht: 247.00
• Beilstein: 5266
• Reaxy-Rn: 1113294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1113294&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: C-nitro compound - organobromine compound

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (partly miscible).
• Schmelzpunkt (°C): 70-73°C
• Molekulargewicht: 247.000 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.928 Da
• Monoisotopic Mass: 245.928 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 584-48-5, the molecular formula is C6H3BrN2O4, and the molecular weight is 247.00 g/mol. InChIKey PBOPJYORIDJAFE-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.