Ftalato de monononilo - ≥98% , CAS No.24539-59-1

CAS: 24539-59-1 Cat. No.: M333033 Fórmula: C₁₇H₂₄O₄ Peso molecular: 292.37

GRADE & PURITY ≥98%

Synonyms

ácido 1,2-benzenodicarboxílico, éster mononónico | DTXSID20179282 | ácido 2-[(noniloxi)carbonil]benzoico | EINECS 246-303-3 | SCHEMBL303993 | ácido 2-nonoxicarbonilbenzóico | LNKHFECVVLVFFE-UHFFFAOYSA-N | hidrogenoftalato de nonilo | AKOS0302

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

ácido 1,2-benzenodicarboxílico, éster mononónico | DTXSID20179282 | ácido 2-[(noniloxi)carbonil]benzoico | EINECS 246-303-3 | SCHEMBL303993 | ácido 2-nonoxicarbonilbenzóico | LNKHFECVVLVFFE-UHFFFAOYSA-N | hidrogenoftalato de nonilo | AKOS0302

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528775907

Sorrisos canónicos

CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

IUPAC Name

2-nonoxycarbonylbenzoic acid

InChIKey

LNKHFECVVLVFFE-UHFFFAOYSA-N

INCHI

1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)

SMILES isoméricas

CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Peso molecular

292.37

Reaxy-Rn

3342209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3342209&ln=

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: Benzoic acid esters
• Alternative Parents: Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Propriedades químicas e físicas

• Solubilidade: Chloroform (Slightly), DMSO (Slightly),Methanol (Slightly)
• Ponto de fusão (°C): 43 - 45°C
• Peso molecular: 292.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 292.167 Da
• Monoisotopic Mass: 292.167 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• 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