2-Chloro-5-nitroisonicotinic acid - ≥98% , CAS No.907545-47-5

CAS: 907545-47-5 Cat. No.: C195754 Summenformel: C₆H₃ClN₂O₄ Molekulargewicht: 202.55 EG-Nummer: 692-777-3

GRADE & PURITY ≥98%

Synonyms

J-508872 | 2-Chloro-5-nitro-pyridine-4-carboxylic acid | 2-chloro-5-nitropyridine-4-carboxylic acid | DTXSID30593793 | TPC-PY016 | AKOS015993881 | AMY10228 | BG-0014 | MFCD14584664 | SB39789 | 2-chloro-5-nitro-4-Pyridinecarboxylic acid | SCHEMBL801584 | 2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

J-508872 | 2-Chloro-5-nitro-pyridine-4-carboxylic acid | 2-chloro-5-nitropyridine-4-carboxylic acid | DTXSID30593793 | TPC-PY016 | AKOS015993881 | AMY10228 | BG-0014 | MFCD14584664 | SB39789 | 2-chloro-5-nitro-4-Pyridinecarboxylic acid | SCHEMBL801584 | 2

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508808226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808226

Kanonisches Lächeln

C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)O

IUPAC Name

2-chloro-5-nitropyridine-4-carboxylic acid

InChIKey

YIKBSICAFIIUER-UHFFFAOYSA-N

INCHI

1S/C6H3ClN2O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H,10,11)

Isomere SMILES

C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)O

Molekulargewicht

202.55

Reaxy-Rn

14541624

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14541624&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Nitroaromatic compounds 2-halopyridines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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: 202.550 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.978 Da
• Monoisotopic Mass: 201.978 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• 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