ácido 3-cloro-6-metilpiridazina-4-carboxílico - ≥95% , CAS No.914637-40-4

CAS: 914637-40-4 Cat. No.: C188217 Peso molecular: 172.6 Número EC: 690-820-0

GRADE & PURITY ≥95%

Synonyms

FT-0685428 | SY040283 | 3-CHLORO-4-CARBOXY-6-METHYLPYRIDAZINE | 3-chloro-6-methylpyridazine-4-carboxylic acid, AldrichCPR | A860368 | BB 0258304 | 3-Chloro-6-methylpyridazine-4-carboxylicacid | J-512301 | AKOS005255090 | 3-Chloro-6-methyl-pyridazine-4-car

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

FT-0685428 | SY040283 | 3-CHLORO-4-CARBOXY-6-METHYLPYRIDAZINE | 3-chloro-6-methylpyridazine-4-carboxylic acid, AldrichCPR | A860368 | BB 0258304 | 3-Chloro-6-methylpyridazine-4-carboxylicacid | J-512301 | AKOS005255090 | 3-Chloro-6-methyl-pyridazine-4-car

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770066
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770066
• Sonrisas canónicas: CC1=CC(=C(N=N1)Cl)C(=O)O
• IUPAC Name: 3-chloro-6-methylpyridazine-4-carboxylic acid
• InChIKey: JGILMNHDPYZDPZ-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O2/c1-3-2-4(6(10)11)5(7)9-8-3/h2H,1H3,(H,10,11)
• Isómeros SMILES: CC1=CC(=C(N=N1)Cl)C(=O)O
• Peso molecular: 172.6
• Reaxy-Rn: 18936692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18936692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Aryl halide - Pyridazine - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 172.570 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.004 Da
• Monoisotopic Mass: 172.004 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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