1-Bromo-2-nitrobenzene - ≥99% , CAS No.577-19-5

CAS: 577-19-5 Cat. No.: B101882 Fórmula: BrC₆H₄NO₂ Peso molecular: 202.01 Beilstein Registry Number: 2044109 Número EC: 209-409-0

GRADE & PURITY ≥99%

Synonyms

NSC403836 | NSC-403836 | B-8941 | CCRIS 3113 | AC-3283 | o-Nitrobromobenzene, liquid or solid [UN2732] [Keep away from food] | o-Nitrobromobenzene, liquid or solid | 1-Bromo-2-nitrobenzene 1000 microg/mL in Methanol | STL280234 | ghl.PD_Mitscher_leg0.917

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Descripción general

1-Bromo-2-nitrobenzene undergoes palladium[0]-mediated Ullmann cross-coupling reaction with a range of β-halo-enals, -enones or -esters to afford the corresponding β-aryl derivatives. Palladium[0]-mediated Ullmann cross-coupling reaction of 1-bromo-2-nitrobenzene with β-bromo-α,β-unsaturated aldehydes is reported.
1-Bromo-2-nitrobenzene may be used in the preparation of: 4-methoxy-2′-nitrodiphenyl ether 1-methoxy-3,5-bis-(2-nitro-phenoxy)benzene 5-hydroxy-3-methoxy-2′-nitrodiphenyl ether

Specifications

Sinónimos

NSC403836 | NSC-403836 | B-8941 | CCRIS 3113 | AC-3283 | o-Nitrobromobenzene, liquid or solid [UN2732] [Keep away from food] | o-Nitrobromobenzene, liquid or solid | 1-Bromo-2-nitrobenzene 1000 microg/mL in Methanol | STL280234 | ghl.PD_Mitscher_leg0.917

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504752108

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752108

Sonrisas canónicas

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

IUPAC Name

1-bromo-2-nitrobenzene

InChIKey

ORPVVAKYSXQCJI-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

Isómeros SMILES

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

WGK Alemania

3

RTECS

CY9040450

Número ONU

3459

Grupo de embalaje

III

Peso molecular

202.01

Beilstein

2044109

Reaxy-Rn

2044109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044109&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Solubility in Methanol almost transparency
• Punto de inflamación (°F): 233°F
• Punto de inflamación (°C): 112℃
• Punto de ebullición (°C): 261°C
• Punto de fusión (°C): 40-42°C
• Peso molecular: 202.010 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.943 Da
• Monoisotopic Mass: 200.943 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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