2-Nitrophenethyl bromide - ≥97% , CAS No.16793-89-8

CAS: 16793-89-8 Cat. No.: N167803 Fórmula: C₈H₈BrNO₂ Peso molecular: 230.06 Número CE: 627-488-3

GRAU & PUREZA ≥97%

Synonyms

SY316636 | 2-(2-nitrophenyl)ethyl bromide | C77958 | J-010413 | 2-(2-Bromoethyl)nitrobenzene | 2-(2-bromoethyl)-nitrobenzene | 2-Nitrophenethyl bromide | SJLIPOVZERLCNL-UHFFFAOYSA-N | AS-75886 | AKOS013153636 | BB 0259827 | MFCD06800159 | SCHEMBL1814444 |

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

SY316636 | 2-(2-nitrophenyl)ethyl bromide | C77958 | J-010413 | 2-(2-Bromoethyl)nitrobenzene | 2-(2-bromoethyl)-nitrobenzene | 2-Nitrophenethyl bromide | SJLIPOVZERLCNL-UHFFFAOYSA-N | AS-75886 | AKOS013153636 | BB 0259827 | MFCD06800159 | SCHEMBL1814444 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488198063

Sorrisos canónicos

C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]

IUPAC Name

1-(2-bromoethyl)-2-nitrobenzene

InChIKey

SJLIPOVZERLCNL-UHFFFAOYSA-N

INCHI

1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2

SMILES isoméricas

C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]

WGK Alemanha

3

Peso molecular

230.06

Reaxy-Rn

2092465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092465&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl bromide - Alkyl halide - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 328°C
• Ponto de fusão (°C): 34-38°C
• Peso molecular: 230.060 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.974 Da
• Monoisotopic Mass: 228.974 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 12
• 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

Perguntas frequentes

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.

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 16793-89-8, the molecular formula is C8H8BrNO2, and the molecular weight is 230.06 g/mol. InChIKey SJLIPOVZERLCNL-UHFFFAOYSA-N.