3-Bromo-5-nitrophenol - ≥95% , CAS No.116632-23-6

CAS: 116632-23-6 Cat. No.: B179784 Summenformel: C₆H₄BrNO₃ Molekulargewicht: 218.01 EG-Nummer: 812-840-2

GRADE & PURITY ≥95%

Synonyms

DTXSID90440759 | BBL103536 | STL557346 | SCHEMBL219621 | EN300-100493 | SY104787 | AS-20150 | A846899 | MFCD09965960 | 5-bromo-3-nitrophenol | AE-562/43287008 | AKOS016002096 | VJQGLUHOAIZTNK-UHFFFAOYSA-N | Phenol, 3-bromo-5-nitro- | 3-bromo-5-nitrophenol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

DTXSID90440759 | BBL103536 | STL557346 | SCHEMBL219621 | EN300-100493 | SY104787 | AS-20150 | A846899 | MFCD09965960 | 5-bromo-3-nitrophenol | AE-562/43287008 | AKOS016002096 | VJQGLUHOAIZTNK-UHFFFAOYSA-N | Phenol, 3-bromo-5-nitro- | 3-bromo-5-nitrophenol

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504765504

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765504

Kanonisches Lächeln

C1=C(C=C(C=C1O)Br)[N+](=O)[O-]

IUPAC Name

3-bromo-5-nitrophenol

InChIKey

VJQGLUHOAIZTNK-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H

Isomere SMILES

C1=C(C=C(C=C1O)Br)[N+](=O)[O-]

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

218.01

Reaxy-Rn

3048139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3048139&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 M-bromophenols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cation - 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 218.000 g/mol
• XLogP3: 3.200
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 116632-23-6, the molecular formula is C6H4BrNO3, and the molecular weight is 218.01 g/mol. InChIKey VJQGLUHOAIZTNK-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.