7-Bromoquinoline-8-carboxylic acid - ≥97% , CAS No.1426144-84-4

CAS: 1426144-84-4 Cat. No.: B190890 Formula: C₁₀H₆BrNO₂ Molecular Weight: 252.06

GRADE & PURITY ≥97%

Synonyms

7-Bromoquinoline-8-carboxylic acid|1426144-84-4|7-Bromo-8-quinolinecarboxylic acid|DTXSID10858655|7-Bromoquinoline-8-carboxylicacid|BHC14484|MFCD27923177|AKOS022176482|DS-7702|SB72111|7-Bromoquinoline-8-carboxylic acid, AldrichCPR|C72672

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

7-Bromoquinoline-8-carboxylic acid | 1426144-84-4 | 7-Bromo-8-quinolinecarboxylic acid | DTXSID10858655 | 7-Bromoquinoline-8-carboxylicacid | BHC14484 | MFCD27923177 | AKOS022176482 | DS-7702 | SB72111 | 7-Bromoquinoline-8-carboxylic acid, AldrichCPR | C72672

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C(=C(C=C2)Br)C(=O)O)N=C1
• IUPAC Name: 7-bromoquinoline-8-carboxylic acid
• InChIKey: OCMNEDZJFXQIEO-UHFFFAOYSA-N
• INCHI: 1S/C10H6BrNO2/c11-7-4-3-6-2-1-5-12-9(6)8(7)10(13)14/h1-5H,(H,13,14)
• Isomeric SMILES: C1=CC2=C(C(=C(C=C2)Br)C(=O)O)N=C1
• Molecular Weight: 252.06
• Reaxy-Rn: 55376427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55376427&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Haloquinolines Halobenzoic acids 2-halobenzoic acids 1-carboxy-2-haloaromatic compounds Pyridines and derivatives Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-8-carboxylic acid - Haloquinoline - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 1-carboxy-2-haloaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Chemical and Physical Properties

• Molecular Weight: 252.060 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.958 Da
• Monoisotopic Mass: 250.958 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 234.000
• 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

Frequently Asked Questions

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 1426144-84-4, the molecular formula is C10H6BrNO2, and the molecular weight is 252.06 g/mol. InChIKey OCMNEDZJFXQIEO-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.