1-Iodo-2-nitrobenzene - ≥99%(GC) , CAS No.609-73-4

CAS: 609-73-4 Cat. No.: I136964 分子式: C₆H₄INO₂ 分子量: 249.01 Beilstein Registry Number: 5252 EC番号: 210-200-1

GRADE & PURITY ≥99%(GC)

Synonyms

1-nitro-2-iodobenzene | FT-0612681 | ortho-nitroiodobenzene | NSC9793 | NSC-9793 | AC-26094 | ghl.PD_Mitscher_leg0.939 | o-Nitroiodobenzene | AM20040844 | A20878 | NSC 9793 | 5D7NBA9LSJ | 1-Iodo-2-nitrobenzene | 1-iodo-2-nitro-benzene | SCHEMBL25105 | 2-I

Storage

Room temperature

Shipped In

FedEx DG Service

概要

1-Iodo-2-nitrobenzene was used in one step synthesis of 2-(2-Pyridyl)-3H-indol-3-one N-Oxide. 1-Iodo-2-nitrobenzene was used in the synthesis of 1-(2-Nitrophenyl)-1H-indole in the presence of PEG3400 (poly(ethylene glycol))-Cs2CO3-copper pre-catalyst under microwave activation.

Specifications

同義語

1-nitro-2-iodobenzene | FT-0612681 | ortho-nitroiodobenzene | NSC9793 | NSC-9793 | AC-26094 | ghl.PD_Mitscher_leg0.939 | o-Nitroiodobenzene | AM20040844 | A20878 | NSC 9793 | 5D7NBA9LSJ | 1-Iodo-2-nitrobenzene | 1-iodo-2-nitro-benzene | SCHEMBL25105 | 2-I

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 488184219
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184219
• カノニカル・スマイル: C1=CC=C(C(=C1)[N+](=O)[O-])I
• IUPAC Name: 1-iodo-2-nitrobenzene
• InChIKey: JXMZUNPWVXQADG-UHFFFAOYSA-N
• INCHI: 1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
• 異性体SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])I
• WGKドイツ: 3
• 分子量: 249.01
• Beilstein: 5252
• Reaxy-Rn: 2044110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044110&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - 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 - Organoiodide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Light sensitive.
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 163 °C/18 mmHg
• 融点（°C）: 52 °C
• 分子量: 249.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 248.929 Da
• Monoisotopic Mass: 248.929 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% 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.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 609-73-4, the molecular formula is C6H4INO2, and the molecular weight is 249.01 g/mol. InChIKey JXMZUNPWVXQADG-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.