4-Bromo-3-hydroxy-2-naphthoic Acid - ≥97% , CAS No.2208-15-3

CAS: 2208-15-3 Cat. No.: B152464 Peso molecular: 267.08 Beilstein Registry Number: 10(4)1192 Número EC: 218-632-2

GRADE & PURITY ≥97%

Synonyms

2-Naphthalenecarboxylicacid,4-bromo-3-hydroxy- | AS-61810 | B3229 | NSC 53065 | SY053571 | SCHEMBL569691 | 4-Bromo-3-hydroxy-2-naphthoic acid | CAA20815 | 3-hydroxy-4-bromo-2-naphthalene carboxylic acid | AC-27915 | DTXSID80176575 | 4-bromo-3-hydroxy-2-na

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Naphthalenecarboxylicacid, 4-bromo-3-hydroxy- | AS-61810 | B3229 | NSC 53065 | SY053571 | SCHEMBL569691 | 4-Bromo-3-hydroxy-2-naphthoic acid | CAA20815 | 3-hydroxy-4-bromo-2-naphthalene carboxylic acid | AC-27915 | DTXSID80176575 | 4-bromo-3-hydroxy-2-na

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183016
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183016
• Sonrisas canónicas: C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)O
• IUPAC Name: 4-bromo-3-hydroxynaphthalene-2-carboxylic acid
• InChIKey: HBUFBIFPUAHIDX-UHFFFAOYSA-N
• INCHI: 1S/C11H7BrO3/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,13H,(H,14,15)
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)O
• Peso molecular: 267.08
• Beilstein: 10(4)1192
• Reaxy-Rn: 2694903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives O-bromophenols Aryl bromides Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - 2-bromophenol - Aryl halide - Aryl bromide - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 231°C(lit.)
• Peso molecular: 267.070 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.958 Da
• Monoisotopic Mass: 265.958 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 256.000
• 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