6-Chloro-3-methoxy-2-nitropyridine - ≥95% , CAS No.1616526-81-8

CAS: 1616526-81-8 Cat. No.: C191276 分子式: C₆H₅ClN₂O₃ 分子量: 188.57

グレード＆純度 ≥95%

Synonyms

1616526-81-8 | 6-Chloro-3-methoxy-2-nitropyridine | Pyridine, 6-chloro-3-methoxy-2-nitro- | C73081 | DTXSID501287804 | AKOS024260778 | AMY16397 | DS-3164

Storage

Room temperature

Shipped In

Normal

仕様

同義語

1616526-81-8 | 6-Chloro-3-methoxy-2-nitropyridine | Pyridine, 6-chloro-3-methoxy-2-nitro- | C73081 | DTXSID501287804 | AKOS024260778 | AMY16397 | DS-3164

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

カノニカル・スマイル

COC1=C(N=C(C=C1)Cl)[N+](=O)[O-]

IUPAC Name

6-chloro-3-methoxy-2-nitropyridine

InChIKey

BSAKOOHPKGWCJR-UHFFFAOYSA-N

INCHI

1S/C6H5ClN2O3/c1-12-4-2-3-5(7)8-6(4)9(10)11/h2-3H,1H3

異性体SMILES

COC1=C(N=C(C=C1)Cl)[N+](=O)[O-]

分子量

188.57

Reaxy-Rn

60049224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60049224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Polyhalopyridines Nitroaromatic compounds Methylpyridines Alkyl aryl ethers 2-halopyridines Imidolactams Heteroaromatic compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tertiary aromatic amine - Nitroaromatic compound - Polyhalopyridine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Imidolactam - Pyridine - Heteroaromatic compound - Organic nitro compound - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Ether - Amidine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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: 188.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.999 Da
• Monoisotopic Mass: 187.999 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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 ≥95% purity (chemical assay). 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 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 1616526-81-8, the molecular formula is C6H5ClN2O3, and the molecular weight is 188.57 g/mol. InChIKey BSAKOOHPKGWCJR-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.