2-(4-Bromophenyl)propanenitrile - ≥95% , CAS No.42186-06-1

CAS: 42186-06-1 Cat. No.: B589086 Formula: C₉H₈BrN Peso molecolare: 210.07 Numero EC: 843-545-7

GRADE & PURITY ≥95%

Synonyms

2-(4-Bromophenyl)propionitrile | 2-(4-bromo-phenyl)-propionitrile | 2-(4-bromophenyl)-propionitrile | DS-5440 | racemic 2-(4-bromo-phenyl)-propionitrile | J-505919 | MFCD11036513 | Z1269233209 | 2-(4-bromophenyl)propanenitrile | AKOS016000565 | SCHEMBL164

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

2-(4-Bromophenyl)propionitrile | 2-(4-bromo-phenyl)-propionitrile | 2-(4-bromophenyl)-propionitrile | DS-5440 | racemic 2-(4-bromo-phenyl)-propionitrile | J-505919 | MFCD11036513 | Z1269233209 | 2-(4-bromophenyl)propanenitrile | AKOS016000565 | SCHEMBL164

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

2-(4-bromophenyl)propanenitrile

InChIKey

FSSOXPFLDSMDKO-UHFFFAOYSA-N

INCHI

1S/C9H8BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3

Isomeri SMILES

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

Peso molecolare

210.07

Reaxy-Rn

1866323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866323&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 Nitriles Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - 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

• Peso molecolare: 210.070 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.984 Da
• Monoisotopic Mass: 208.984 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

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 room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 42186-06-1, the molecular formula is C9H8BrN, and the molecular weight is 210.07 g/mol. InChIKey FSSOXPFLDSMDKO-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.