3-Bromomethylbenzonitrile - ≥98%(GC) , CAS No.28188-41-2

CAS: 28188-41-2 Cat. No.: B152141 Formula: C₈H₆BrN Peso molecolare: 196.05 Beilstein Registry Number: 742356 Numero EC: 248-890-1

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

3-cyano benzylbromide | A5376 | STL183307 | NSC 108298 | 3-Bromomethylpyridine (hydrobromide) | MFCD00070243 | SY009225 | FT-0622120 | 3-(bromo methyl)benzonitrile | 3-(Bromomethyl)benzonitrile | 3-(bromomethyl)-benzonitrile | 3-(bromomethyl)benzo-nitrile

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Panoramica

3-(Bromomethyl)benzonitrile undergoes Suzuki cross-coupling reaction with bis(pinacolato)diboron
3-(Bromomethyl)benzonitrile was used in the synthesis of 3-(bromomethyl)benzaldehyde

Specifiche

Sinonimi

3-cyano benzylbromide | A5376 | STL183307 | NSC 108298 | 3-Bromomethylpyridine (hydrobromide) | MFCD00070243 | SY009225 | FT-0622120 | 3-(bromo methyl)benzonitrile | 3-(Bromomethyl)benzonitrile | 3-(bromomethyl)-benzonitrile | 3-(bromomethyl)benzo-nitrile

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488187043

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187043

Sorrisi canonici

C1=CC(=CC(=C1)C#N)CBr

IUPAC Name

3-(bromomethyl)benzonitrile

InChIKey

CVKOOKPNCVYHNY-UHFFFAOYSA-N

INCHI

1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2

Isomeri SMILES

C1=CC(=CC(=C1)C#N)CBr

WGK Germania

3

Peso molecolare

196.05

Beilstein

742356

Reaxy-Rn

742356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742356&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Benzonitriles Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in Methanol
• Sensibilità: Moisture & Light sensitive
• Punto di ebollizione (°C): 130 °C/4 mmHg
• Punto di fusione (°C): 95 °C
• Peso molecolare: 196.040 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.968 Da
• Monoisotopic Mass: 194.968 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• 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

Domande frequenti

How is this product shipped?

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

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, protected from light, 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 28188-41-2, the molecular formula is C8H6BrN, and the molecular weight is 196.05 g/mol. InChIKey CVKOOKPNCVYHNY-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.