Dodecylbenzenesulfonic acid solution - 70 wt. % in isopropanol , CAS No.27176-87-0

CAS: 27176-87-0 Cat. No.: D432532 Fórmula: C₁₈H₃₀SO₃ Peso molecular: 326.49 Número EC: 248-289-4

CALIDAD & PUREZA 70 wt. % in isopropanol

Synonyms

FT-0698141 | 2-dodecylbenzene-1-sulfonic acid | UNII-QMO4A07H35 | WBIQQQGBSDOWNP-UHFFFAOYSA-N | C18H30O3S | HY-W250144 | CHEBI:149774 | dodecyl benzene sulphonic acid | 2-dodecylbenzenesulphonic acid | Benzenesulfonic acid, 2-dodecyl- | DODECYL BENZENE SU

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Dodecylbenzenesulfonic acid solution (DBSA) is a non-volatile and non-hygroscopic acid catalyst majorly used in the trans-esterification reaction.

Application

Dopant for conducting polymers strong acid catalyst for amino cross-linked coatings DBSA can be used as a catalyst for the esterification of fatty acids (oleic acids) to produce biodiesel. It can be used as a Bronsted acid catalyst for the green synthesis of quinoxaline derivatives which are used in a variety of pharmacological profiles. It may be electrodeposited with polypyrrole(PPy) films on the aluminium alloy to protect against corrosion. Water based nanofluids with enhanced thermal conductivity and specific heat capacity may be prepared by doping polyanaline (PANI) into DBSA.

Especificaciones

Sinónimos

FT-0698141 | 2-dodecylbenzene-1-sulfonic acid | UNII-QMO4A07H35 | WBIQQQGBSDOWNP-UHFFFAOYSA-N | C18H30O3S | HY-W250144 | CHEBI:149774 | dodecyl benzene sulphonic acid | 2-dodecylbenzenesulphonic acid | Benzenesulfonic acid, 2-dodecyl- | DODECYL BENZENE SU

Especificaciones y pureza

70 wt. % in isopropanol

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

Pubchem Sid

508812556

Sonrisas canónicas

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

IUPAC Name

2-dodecylbenzenesulfonic acid

InChIKey

WBIQQQGBSDOWNP-UHFFFAOYSA-N

INCHI

1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)

Isómeros SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

WGK Alemania

2

RTECS

DB6600000

Número ONU

2584

Grupo de embalaje

II

Peso molecular

326.49

Reaxy-Rn

2658392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2658392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a 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: water, alcohols, glycol ethers, glycols, esters, ketones, aromatic and ; aliphatic hydrocarbons: soluble
• Índice de refracción: 1.479
• Punto de inflamación (°F): 84.2℉
• Punto de inflamación (°C): 29°C
• Punto de ebullición (°C): 82°C
• Peso molecular: 326.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 326.192 Da
• Monoisotopic Mass: 326.192 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 359.000
• 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