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

CAS: 577-19-5 Cat. No.: B101882 Formula: BrC₆H₄NO₂ Peso molecolare: 202.01 Beilstein Registry Number: 2044109 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504752108
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752108
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br
• WGK Germania: 3
• RTECS: CY9040450
• Numero UN: 3459
• Gruppo di imballaggio: III
• Peso molecolare: 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
    • 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 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Solubility in Methanol almost transparency
• Punto di infiammabilità (°F): 233°F
• Punto di infiammabilità (°C): 112℃
• Punto di ebollizione (°C): 261°C
• Punto di fusione (°C): 40-42°C
• Peso molecolare: 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