1,4-Naphthalenedicarboxylic acid - ≥95% , CAS No.605-70-9

CAS: 605-70-9 Cat. No.: N106386 Peso molecular: 216.19 Beilstein Registry Number: 9917 Número EC: 210-094-7

GRADE & PURITY ≥95%

Synonyms

AKOS015856051 | 1,4-Naphthalenedicarboxylic acid, 94% | A8445 | EINECS 210-094-7 | 84HFA3F9GP | EN300-201196 | naphthaline-1,4-dicarboxylic acid | F11258 | N0606 | AS-10797 | UNII-84HFA3F9GP | AC-11690 | FT-0606917 | Naphthalene-1,4-dicarboxylic acid | Na

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Sinónimos

AKOS015856051 | 1, 4-Naphthalenedicarboxylic acid, 94% | A8445 | EINECS 210-094-7 | 84HFA3F9GP | EN300-201196 | naphthaline-1, 4-dicarboxylic acid | F11258 | N0606 | AS-10797 | UNII-84HFA3F9GP | AC-11690 | FT-0606917 | Naphthalene-1, 4-dicarboxylic acid | Na

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488184206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184206
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O
• IUPAC Name: naphthalene-1,4-dicarboxylic acid
• InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
• INCHI: 1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O
• WGK Alemania: 1
• Peso molecular: 216.19
• Beilstein: 9917
• Reaxy-Rn: 2051255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051255&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: P-phthalic acid and derivatives Dicarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid - Para_phthalic_acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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: Insoluble in water.
• Punto de fusión (°C): 300°C
• Peso molecular: 216.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.042 Da
• Monoisotopic Mass: 216.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• 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

Referencias

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