(R)-(+)-1,2,4-Butanetriol - ≥98% , CAS No.70005-88-8

CAS: 70005-88-8 Cat. No.: R472595 Peso molecular: 106.12 Número EC: 626-148-1

GRADE & PURITY ≥98%

Synonyms

(2R)-butane-1,2,4-triol | 1,2,4-Butanetriol, (R)- | Q27279543 | AS-36943 | AKOS016015974 | BGQ | (r)-(+)-1,2,4-trihydroxybutane | (R)-(+)-1,2,4-Butanetriol | MFCD00063212 | (2R)-1,2,4-Butanetriol | (R)-(+)-1,2,4-Triydroxybutane | (R)-(+)-1,2,4-Butanetriol

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Description

(R)-(+)-1,2,4-Butanetriol can be used as a reactant to prepare:Phenanthrene 9, 10 diacetal from phenanthrene 9, 10 quinone.(R)-1,2,4-Tris(benzoyloxy)butane by reacting with benzyl chloride in the presence of a base and DMAP.

Specifications

Sinónimos

(2R)-butane-1, 2, 4-triol | 1, 2, 4-Butanetriol, (R)- | Q27279543 | AS-36943 | AKOS016015974 | BGQ | (r)-(+)-1, 2, 4-trihydroxybutane | (R)-(+)-1, 2, 4-Butanetriol | MFCD00063212 | (2R)-1, 2, 4-Butanetriol | (R)-(+)-1, 2, 4-Triydroxybutane | (R)-(+)-1, 2, 4-Butanetriol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764455
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764455
• Sonrisas canónicas: C(CO)C(CO)O
• IUPAC Name: (2R)-butane-1,2,4-triol
• InChIKey: ARXKVVRQIIOZGF-SCSAIBSYSA-N
• INCHI: 1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1
• Isómeros SMILES: C(CO)[C@H](CO)O
• WGK Alemania: 3
• Peso molecular: 106.12
• Reaxy-Rn: 1719409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719409&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: Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - 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: 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

• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 150 °C/0.04 mmHg
• Peso molecular: 106.120 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 106.063 Da
• Monoisotopic Mass: 106.063 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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