5-Bromo-2-nitroisonicotinic acid - ≥98% , CAS No.1356412-82-2

CAS: 1356412-82-2 Cat. No.: B190689 Formula: C₆H₃BrN₂O₄ Peso molecolare: 247

GRADE & PURITY ≥98%

Synonyms

5-Bromo-2-nitroisonicotinic acid|1356412-82-2|5-bromo-2-nitropyridine-4-carboxylic acid|5-Bromo-2-nitroisonicotinicacid|DTXSID00855850|MFCD21648462|AKOS016011419|DS-6272|C72429|EN300-196680|A886968|Z1416168778

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

5-Bromo-2-nitroisonicotinic acid | 1356412-82-2 | 5-bromo-2-nitropyridine-4-carboxylic acid | 5-Bromo-2-nitroisonicotinicacid | DTXSID00855850 | MFCD21648462 | AKOS016011419 | DS-6272 | C72429 | EN300-196680 | A886968 | Z1416168778

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=C(C(=CN=C1[N+](=O)[O-])Br)C(=O)O
• IUPAC Name: 5-bromo-2-nitropyridine-4-carboxylic acid
• InChIKey: MPPXDSQZQIBCRT-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrN2O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)
• Isomeri SMILES: C1=C(C(=CN=C1[N+](=O)[O-])Br)C(=O)O
• Peso molecolare: 247
• Reaxy-Rn: 51490981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51490981&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: 1-carboxy-2-haloaromatic compounds Nitroaromatic compounds Aryl bromides Imidolactams Vinylogous halides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Nitroaromatic compound - 1-carboxy-2-haloaromatic compound - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous halide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic salt - Organic cation - 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: 247.000 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 245.928 Da
• Monoisotopic Mass: 245.928 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

Domande frequenti

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 1356412-82-2, the molecular formula is C6H3BrN2O4, and the molecular weight is 247 g/mol. InChIKey MPPXDSQZQIBCRT-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.