3-Bromo-4-nitrophenol - ≥97% , CAS No.5470-65-5

CAS: 5470-65-5 Cat. No.: B193871 Summenformel: C₆H₄BrNO₃ Molekulargewicht: 218.01 EG-Nummer: 965-190-8

GRADE & PURITY ≥97%

Synonyms

DTXSID70203167 | SZYVPWPBRABKAB-UHFFFAOYSA-N | DS-16760 | EN300-1695553 | 3- bromo-4-Nitrophenol | FT-0663813 | SY021067 | AKOS015834612 | AMY28376 | NSC27960 | NSC-27960 | UNII-K3X638NTR8 | Phenol, 3-bromo-4-nitro- (8CI)(9CI) | AC-29339 | MB08147 | K3X63

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID70203167 | SZYVPWPBRABKAB-UHFFFAOYSA-N | DS-16760 | EN300-1695553 | 3- bromo-4-Nitrophenol | FT-0663813 | SY021067 | AKOS015834612 | AMY28376 | NSC27960 | NSC-27960 | UNII-K3X638NTR8 | Phenol, 3-bromo-4-nitro- (8CI)(9CI) | AC-29339 | MB08147 | K3X63

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488182717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182717
• Kanonisches Lächeln: C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
• IUPAC Name: 3-bromo-4-nitrophenol
• InChIKey: SZYVPWPBRABKAB-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
• Isomere SMILES: C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
• Molekulargewicht: 218.01
• Reaxy-Rn: 2521698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2521698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds M-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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: 218.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.937 Da
• Monoisotopic Mass: 216.937 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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 ≥97% 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 5470-65-5, the molecular formula is C6H4BrNO3, and the molecular weight is 218.01 g/mol. InChIKey SZYVPWPBRABKAB-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.