2-Butanol - Ultra dry,≥99.5%,water≤50 ppm , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B1521118 Peso molecular: 74.12 Beilstein Registry Number: 773649 Número EC: 201-158-5

GRADE & PURITY Ultra dry, ≥99.5%, water≤50 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Especificaciones y pureza

Ultra dry, ≥99.5%, water≤50 ppm

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Ultra dry

Pureza

≥99.5%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)O
• IUPAC Name: butan-2-ol
• InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
• INCHI: 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
• Isómeros SMILES: CCC(C)O
• WGK Alemania: 1
• RTECS: EO1750000
• Número ONU: 1120
• Grupo de embalaje: III
• Peso molecular: 74.12
• Beilstein: 773649
• Reaxy-Rn: 773649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773649&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: a small molecule

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

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.397
• Punto de inflamación (°F): 78.8℉
• Punto de inflamación (°C): 26℃
• Punto de ebullición (°C): 98°C
• Punto de fusión (°C): -115°C
• Peso molecular: 74.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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