Bromobenzene-d₅ - ≥99 atom% D5 , CAS No.4165-57-5

CAS: 4165-57-5 Cat. No.: B121294 Formula: C₆D₅Br Peso molecolare: 162.04 Numero EC: 224-013-8

GRADE & PURITY ≥99 atom% D5

Synonyms

C6D5Br | DTXSID50961874 | Benzene-d5, bromo- | 1-Bromo(~2~H_5_)benzene | Bromobenzene-d5 | Pentadeuterobromobenzene | Bromobenzene-d5, 99.5 atom % D | SCHEMBL762140 | Bromobenzene-d5, reagent grade, >=99 atom % D, >=99% (CP) | AKOS015888356 | BROMOBENZENE

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

Bromobenzene-d5 is a deuterated derivative of bromobenzene having an isotopic purity of 99.5 atom% D. Temperature dependent 1H-NMR (Proton Nuclear Magnetic Resonance) spectra of calixarenes (p-tert-butylcalix-[4]- and calix[8]arene) have been investigated in CDCl3 and bromobenzene-d5. Imaginary refractive indices, real refractive indices and other absorption quantities and imaginary molar polarizability spectra of liquid bromobenzene-d5 have been evaluated.

Specifications

Sinonimi

C6D5Br | DTXSID50961874 | Benzene-d5, bromo- | 1-Bromo(~2~H_5_)benzene | Bromobenzene-d5 | Pentadeuterobromobenzene | Bromobenzene-d5, 99.5 atom % D | SCHEMBL762140 | Bromobenzene-d5, reagent grade, >=99 atom % D, >=99% (CP) | AKOS015888356 | BROMOBENZENE

Specifiche e purezza

≥99 atom% D5

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99 atom% D5

Nomi e identificatori

Pubchem Sid

504760841

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760841

Sorrisi canonici

C1=CC=C(C=C1)Br

IUPAC Name

1-bromo-2,3,4,5,6-pentadeuteriobenzene

InChIKey

QARVLSVVCXYDNA-RALIUCGRSA-N

INCHI

1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

Isomeri SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])Br)[2H])[2H]

WGK Germania

1

Peso molecolare

162.04

Reaxy-Rn

1236661

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236661&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.5585
• Punto di infiammabilità (°F): 51° C
• Punto di infiammabilità (°C): 51°C
• Punto di ebollizione (°C): 53 °C
• Peso molecolare: 162.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.989 Da
• Monoisotopic Mass: 160.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 5
• 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% the labelled isotope. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. 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.

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

The CAS Number is 4165-57-5, the molecular formula is C6D5Br, and the molecular weight is 162.04 g/mol. InChIKey QARVLSVVCXYDNA-RALIUCGRSA-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.