2-Iodo-5-nitropyridine - ≥97% , CAS No.28080-54-8

CAS: 28080-54-8 Cat. No.: I157682 분자식: C₅H₃IN₂O₂ 분자량: 249.99 EC 번호: 623-858-3

GRADE & PURITY ≥97%

Synonyms

DTXSID60356090 | SJXWHBQWFBHASX-UHFFFAOYSA-N | FT-0655565 | T72219 | AKOS015891738 | AM20080934 | I0955 | SY056386 | SCHEMBL725834 | 2-Iodo-5-nitropyridine, 97% | AS-57848 | A819320 | AC-23855 | 6-Iodo-3-nitropyridine | J-016966 | 5-nitro-2-iodopyridine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID60356090 | SJXWHBQWFBHASX-UHFFFAOYSA-N | FT-0655565 | T72219 | AKOS015891738 | AM20080934 | I0955 | SY056386 | SCHEMBL725834 | 2-Iodo-5-nitropyridine, 97% | AS-57848 | A819320 | AC-23855 | 6-Iodo-3-nitropyridine | J-016966 | 5-nitro-2-iodopyridine |

사양 및 순도

≥97%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488191545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191545
• 정식 스마일: C1=CC(=NC=C1[N+](=O)[O-])I
• IUPAC Name: 2-iodo-5-nitropyridine
• InChIKey: SJXWHBQWFBHASX-UHFFFAOYSA-N
• INCHI: 1S/C5H3IN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
• 이성체 SMILES: C1=CC(=NC=C1[N+](=O)[O-])I
• WGK 독일: 3
• 분자량: 249.99
• Reaxy-Rn: 121381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 분류 Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• 분류: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: 2-halopyridines Aryl iodides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-halopyridine - Aryl halide - Aryl iodide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organoiodide - Organic oxygen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

화학 및 물리적 특성

• 감도: light & air sensitive
• 녹는점(°C): 166 °C
• 분자량: 249.990 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 249.924 Da
• Monoisotopic Mass: 249.924 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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

자주 묻는 질문

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 28080-54-8, the molecular formula is C5H3IN2O2, and the molecular weight is 249.99 g/mol. InChIKey SJXWHBQWFBHASX-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.