acido 2-cloro-5-idrossiisonicotinico - ≥97% , CAS No.1060804-57-0

CAS: 1060804-57-0 Cat. No.: C189537 Formula: C₆H₄ClNO₃ Peso molecolare: 173.55 Numero EC: 985-653-8

GRADE & PURITY ≥97%

Synonyms

SCHEMBL20855918 | 2-CHLORO-5-HYDROXYISONICOTINIC ACID | 2-chloro-5-hydroxyisonicotinicacid | J-508844 | AKOS015995064 | SY026953 | DTXSID30693606 | FT-0750479 | 1060804-57-0 | AB67788 | EN300-121428 | DS-15806 | MFCD13189124 | 2-chloro-5-hydroxypyridine-4

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

SCHEMBL20855918 | 2-CHLORO-5-HYDROXYISONICOTINIC ACID | 2-chloro-5-hydroxyisonicotinicacid | J-508844 | AKOS015995064 | SY026953 | DTXSID30693606 | FT-0750479 | 1060804-57-0 | AB67788 | EN300-121428 | DS-15806 | MFCD13189124 | 2-chloro-5-hydroxypyridine-4

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=C(C(=CN=C1Cl)O)C(=O)O
• IUPAC Name: 2-chloro-5-hydroxypyridine-4-carboxylic acid
• InChIKey: HRQRNMNNTRITIK-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO3/c7-5-1-3(6(10)11)4(9)2-8-5/h1-2,9H,(H,10,11)
• Isomeri SMILES: C1=C(C(=CN=C1Cl)O)C(=O)O
• Peso molecolare: 173.55
• Reaxy-Rn: 34505497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34505497&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines 2-halopyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 173.550 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 164.000
• 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

Domande frequenti

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 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 1060804-57-0, the molecular formula is C6H4ClNO3, and the molecular weight is 173.55 g/mol. InChIKey HRQRNMNNTRITIK-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.