2-Chloro-3-nitroquinoline - ≥97% , CAS No.78105-37-0

CAS: 78105-37-0 Cat. No.: C489365 Summenformel: C₉H₅ClN₂O₂ Molekulargewicht: 208.6

GRADE & PURITY ≥97%

Synonyms

MFCD08705681 | SCHEMBL2425847 | DTXSID10506124 | AC9771 | 2-chloro-3-nitroquinoline | PQZXGIIGQHCVAU-UHFFFAOYSA-N | EN300-160340 | AS-58411 | FT-0714372 | AKOS000320154 | SY161874 | SB71994

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

MFCD08705681 | SCHEMBL2425847 | DTXSID10506124 | AC9771 | 2-chloro-3-nitroquinoline | PQZXGIIGQHCVAU-UHFFFAOYSA-N | EN300-160340 | AS-58411 | FT-0714372 | AKOS000320154 | SY161874 | SB71994

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504767194

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767194

Kanonisches Lächeln

C1=CC=C2C(=C1)C=C(C(=N2)Cl)[N+](=O)[O-]

IUPAC Name

2-chloro-3-nitroquinoline

InChIKey

PQZXGIIGQHCVAU-UHFFFAOYSA-N

INCHI

1S/C9H5ClN2O2/c10-9-8(12(13)14)5-6-3-1-2-4-7(6)11-9/h1-5H

Isomere SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)[N+](=O)[O-]

Molekulargewicht

208.6

Reaxy-Rn

166309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=166309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Nitroquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: Chloroquinolines Nitroaromatic compounds 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Chloroquinoline - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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: 208.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 208.004 Da
• Monoisotopic Mass: 208.004 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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

Häufig gestellte Fragen

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. Refrigerated storage is required to maintain the specified shelf life.

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 78105-37-0, the molecular formula is C9H5ClN2O2, and the molecular weight is 208.6 g/mol. InChIKey PQZXGIIGQHCVAU-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.