2,4-Dibromo-3-hydroxybenzoic acid - ≥98% , CAS No.91659-00-6

CAS: 91659-00-6 Cat. No.: D1274582 Formula: C₇H₄Br₂O₃ Peso molecolare: 295.91 PubChem CID: 14851210

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C(=C1C(=O)O)Br)O)Br
• IUPAC Name: 2,4-dibromo-3-hydroxybenzoic acid
• InChIKey: FZCONYDEKWEWDC-UHFFFAOYSA-N
• INCHI: 1S/C7H4Br2O3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,(H,11,12)
• Isomeri SMILES: C1=CC(=C(C(=C1C(=O)O)Br)O)Br
• PubChem CID: 14851210
• Peso molecolare: 295.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 4-halobenzoic acids 2-halobenzoic acids Benzoic acids O-bromophenols Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous halides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - 2-bromophenol - 2-halophenol - 1-carboxy-2-haloaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aryl halide - Aryl bromide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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: 295.910 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 295.851 Da
• Monoisotopic Mass: 293.853 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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 91659-00-6, the molecular formula is C7H4Br2O3, and the molecular weight is 295.91 g/mol. InChIKey FZCONYDEKWEWDC-UHFFFAOYSA-N.