5-Bromo-2-nitroaniline - ≥98% , CAS No.5228-61-5

CAS: 5228-61-5 Cat. No.: B184960 Summenformel: C₆H₅BrN₂O₂ Molekulargewicht: 217.02 EG-Nummer: 837-975-4

GRADE & PURITY ≥98%

Synonyms

5-Brom0-2-nitro-phenylamine | AE-641/00131043 | A846699 | 5-bromo-2-nitroaniline | 5-bromo-2-nitro-aniline | AM20040621 | Benzenamine, 5-bromo-2-nitro | Benzenamine, 5-bromo-2-nitro- | MB07034 | (5-bromo-2-nitro-phenyl)amine | 5-Bromo-2-nitro aniline | EN

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

5-Brom0-2-nitro-phenylamine | AE-641/00131043 | A846699 | 5-bromo-2-nitroaniline | 5-bromo-2-nitro-aniline | AM20040621 | Benzenamine, 5-bromo-2-nitro | Benzenamine, 5-bromo-2-nitro- | MB07034 | (5-bromo-2-nitro-phenyl)amine | 5-Bromo-2-nitro aniline | EN

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488195326

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195326

Kanonisches Lächeln

C1=CC(=C(C=C1Br)N)[N+](=O)[O-]

IUPAC Name

5-bromo-2-nitroaniline

InChIKey

RMIFLIVHJLREFJ-UHFFFAOYSA-N

INCHI

1S/C6H5BrN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2

Isomere SMILES

C1=CC(=C(C=C1Br)N)[N+](=O)[O-]

Molekulargewicht

217.02

Reaxy-Rn

2642001

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2642001&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 Aniline and substituted anilines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 217.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.953 Da
• Monoisotopic Mass: 215.953 Da
• Topological Polar Surface Area: 71.800 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

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5228-61-5, the molecular formula is C6H5BrN2O2, and the molecular weight is 217.02 g/mol. InChIKey RMIFLIVHJLREFJ-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.