1-Chloro-7-methylisoquinoline - ≥98% , CAS No.24188-80-5

CAS: 24188-80-5 Cat. No.: C192250 分子式: C₁₀H₈ClN 分子量: 177.63

GRADE & PURITY ≥98%

Synonyms

AKOS006313660 | SCHEMBL664591 | AB54695 | Isoquinoline, 1-chloro-7-methyl- | MFCD09907915 | A847150 | SY003958 | FBQJSTRRHBTMMQ-UHFFFAOYSA-N | 1-Chloro-7-methylisoquinoline | 1-chloro-7-methyl-isoquinoline | AC-7093 | DTXSID90623863 | F30684 | EN300-25833

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS006313660 | SCHEMBL664591 | AB54695 | Isoquinoline, 1-chloro-7-methyl- | MFCD09907915 | A847150 | SY003958 | FBQJSTRRHBTMMQ-UHFFFAOYSA-N | 1-Chloro-7-methylisoquinoline | 1-chloro-7-methyl-isoquinoline | AC-7093 | DTXSID90623863 | F30684 | EN300-25833

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC1=CC2=C(C=C1)C=CN=C2Cl
• IUPAC Name: 1-chloro-7-methylisoquinoline
• InChIKey: FBQJSTRRHBTMMQ-UHFFFAOYSA-N
• INCHI: 1S/C10H8ClN/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3
• 異性体SMILES: CC1=CC2=C(C=C1)C=CN=C2Cl
• 分子量: 177.63
• Reaxy-Rn: 119180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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: 177.630 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.035 Da
• Monoisotopic Mass: 177.035 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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 ≥98% 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 24188-80-5, the molecular formula is C10H8ClN, and the molecular weight is 177.63 g/mol. InChIKey FBQJSTRRHBTMMQ-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.