4-Chloro-2-nitropyridine - ≥97% , CAS No.65370-42-5

CAS: 65370-42-5 Cat. No.: C185834 分子式: C₅H₃ClN₂O₂ 分子量: 158.5 EC番号: 812-527-0

GRADE & PURITY ≥97%

Synonyms

AMY23028 | MFCD04114167 | EN300-316378 | AS-18479 | DTXSID70376507 | 4-chloro-2-nitropyridine | 4-chloro-2-nitro-pyridine | SB52435 | AKOS006291856 | AC-25194 | BCP10977 | SCHEMBL826540 | SY038052 | 4-chloranyl-2-nitro-pyridine | A806164 | FT-0646439 | A1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

AMY23028 | MFCD04114167 | EN300-316378 | AS-18479 | DTXSID70376507 | 4-chloro-2-nitropyridine | 4-chloro-2-nitro-pyridine | SB52435 | AKOS006291856 | AC-25194 | BCP10977 | SCHEMBL826540 | SY038052 | 4-chloranyl-2-nitro-pyridine | A806164 | FT-0646439 | A1

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 488193312
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488193312
• カノニカル・スマイル: C1=CN=C(C=C1Cl)[N+](=O)[O-]
• IUPAC Name: 4-chloro-2-nitropyridine
• InChIKey: YPKBJRKFGYVURL-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
• 異性体SMILES: C1=CN=C(C=C1Cl)[N+](=O)[O-]
• 分子量: 158.5
• Reaxy-Rn: 1564192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1564192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 分類 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
• 分類: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 158.540 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.988 Da
• Monoisotopic Mass: 157.988 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

よくある質問

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 65370-42-5, the molecular formula is C5H3ClN2O2, and the molecular weight is 158.5 g/mol. InChIKey YPKBJRKFGYVURL-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.