3-Chloro-5-nitropicolinic acid - ≥98% , CAS No.141238-23-5

CAS: 141238-23-5 Cat. No.: C190854 분자식: C₆H₃ClN₂O₄ 분자량: 202.55

GRADE & PURITY ≥98%

Synonyms

DS-16974 | DTXSID20597366 | SY116167 | A885689 | AC-27216 | AKOS016003396 | 3-Chloro-5-nitropicolinic acid | 2-Pyridinecarboxylic acid,3-chloro-5-nitro- | 3-Chloro-5-nitropicolinicacid | 2-Pyridinecarboxylic acid, 3-chloro-5-nitro- | MFCD14584667 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DS-16974 | DTXSID20597366 | SY116167 | A885689 | AC-27216 | AKOS016003396 | 3-Chloro-5-nitropicolinic acid | 2-Pyridinecarboxylic acid,3-chloro-5-nitro- | 3-Chloro-5-nitropicolinicacid | 2-Pyridinecarboxylic acid, 3-chloro-5-nitro- | MFCD14584667 | SCHEMB

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=C(C=NC(=C1Cl)C(=O)O)[N+](=O)[O-]
• IUPAC Name: 3-chloro-5-nitropyridine-2-carboxylic acid
• InChIKey: BNPDDLSKUUEFAA-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClN2O4/c7-4-1-3(9(12)13)2-8-5(4)6(10)11/h1-2H,(H,10,11)
• 이성체 SMILES: C1=C(C=NC(=C1Cl)C(=O)O)[N+](=O)[O-]
• 분자량: 202.55
• Reaxy-Rn: 13464204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13464204&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Nitroaromatic compounds Aryl chlorides Vinylogous halides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Nitroaromatic compound - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - 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 zwitterion - Organic nitrogen compound - Organic oxide - Organic salt - Organohalogen compound - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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 141238-23-5, the molecular formula is C6H3ClN2O4, and the molecular weight is 202.55 g/mol. InChIKey BNPDDLSKUUEFAA-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.