2,5-Dichloronicotinaldehyde - ≥98% , CAS No.176433-49-1

CAS: 176433-49-1 Cat. No.: D167963 Summenformel: C₆H₃Cl₂NO Molekulargewicht: 176 EG-Nummer: 692-288-5

GRADE & PURITY ≥98%

Synonyms

BBL103339 | A3917 | SB52378 | 2,5-DICHLOROPYRIDINE-3-CARBOXALDEHYDE | AKOS005070446 | AC-33350 | 2,5-Dichloronicotinaldehyde, AldrichCPR | BHA43349 | 3-Pyridinecarboxaldehyde,2,5-dichloro- | EN300-201867 | IJHUAOWEHGGIRB-UHFFFAOYSA-N | 2,5-Dichloronicotin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BBL103339 | A3917 | SB52378 | 2,5-DICHLOROPYRIDINE-3-CARBOXALDEHYDE | AKOS005070446 | AC-33350 | 2,5-Dichloronicotinaldehyde, AldrichCPR | BHA43349 | 3-Pyridinecarboxaldehyde,2,5-dichloro- | EN300-201867 | IJHUAOWEHGGIRB-UHFFFAOYSA-N | 2,5-Dichloronicotin

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504769111
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769111
• Kanonisches Lächeln: C1=C(C=NC(=C1C=O)Cl)Cl
• IUPAC Name: 2,5-dichloropyridine-3-carbaldehyde
• InChIKey: IJHUAOWEHGGIRB-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
• Isomere SMILES: C1=C(C=NC(=C1C=O)Cl)Cl
• Molekulargewicht: 176
• Reaxy-Rn: 13574101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13574101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 176.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.959 Da
• Monoisotopic Mass: 174.959 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

Referenzen

1. Yixiang Li, Yajun Bai, Tai-Ping Fan, Xiaohui Zheng, Yujie Cai.  (2021)  Characterization of a putative tropinone reductase from Tarenaya hassleriana with a broad substrate specificity.  BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY,  69  (6): (2530-2539).  [PMID:34902878] [10.1002/bab.2302]

Häufig gestellte Fragen

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 176433-49-1, the molecular formula is C6H3Cl2NO, and the molecular weight is 176 g/mol. InChIKey IJHUAOWEHGGIRB-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.