2-Propanol-d₈ - ≥99.5 atom% D , CAS No.22739-76-0

CAS: 22739-76-0 Cat. No.: P432348 Peso molecular: 68.14 Beilstein Registry Number: 1816231 Número EC: 245-189-2

GRADE & PURITY ≥99.5 atom% D

Synonyms

AKOS015903465 | D99058 | EINECS 245-189-2 | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | 2-Propan-1,1,1,2,3,3,3-d7-ol-d | Propan-1,1,1,2,3,3,3-d7-2-ol-d | (O,1,1,1,2,3,3,3-2H8)Propan-2-ol | J-014836 | A935653 | MFCD00044341 | 2-Propanol-d8 | 2-Propa

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2-Propanol-d 8 (Isopropanol-d 8 ) is a deuterated derivative of isopropanol. Generation and decay of correlated radical pairs (SCRP) during the reduction of acetone(D 6 ) in 2-propanol(D 8 ) have been studied by Fourier transform-electron paramagnetic resonance (FT-EPR) spectroscopy. It participates as solvent during the evaluation of triplet decay constants, triplet lifetime and photoreduction rate constants of benzophenone.

Application

2-Propanol-d 8 may be used in the preparation of 2-iodopropane-d 7 .

Specifications

Sinónimos

AKOS015903465 | D99058 | EINECS 245-189-2 | 1, 1, 1, 2, 3, 3, 3-heptadeuterio-2-deuteriooxypropane | 2-Propan-1, 1, 1, 2, 3, 3, 3-d7-ol-d | Propan-1, 1, 1, 2, 3, 3, 3-d7-2-ol-d | (O, 1, 1, 1, 2, 3, 3, 3-2H8)Propan-2-ol | J-014836 | A935653 | MFCD00044341 | 2-Propanol-d8 | 2-Propa

Especificaciones y pureza

≥99.5 atom% D

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99.5 atom% D

Nombres e identificadores

• Sonrisas canónicas: CC(C)O
• IUPAC Name: 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane
• InChIKey: KFZMGEQAYNKOFK-PIODKIDGSA-N
• INCHI: 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H]
• WGK Alemania: 3
• Peso molecular: 68.14
• Beilstein: 1816231
• Reaxy-Rn: 635639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635639&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: 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: heat sensitive
• Índice de refracción: 1.3728
• Punto de inflamación (°F): 53.6 °F
• Punto de inflamación (°C): 12 °C
• Punto de ebullición (°C): 82°C
• Punto de fusión (°C): -89.5°C
• Peso molecular: 68.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.1077 Da
• Monoisotopic Mass: 68.1077 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• Isotope Atom Count: 8
• 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

1. Wang Tianjiao, Xin Yu, Chen Bingfeng, Zhang Bin, Luan Sen, Dong Minghua, Wu Yuxuan, Cheng Xiaomeng, Liu Ye, Liu Huizhen, Han Buxing.  (2024)  Selective hydrodeoxygenation of α, β-unsaturated carbonyl compounds to alkenes.  Nature Communications,  15  (1): (1-10).  [PMID:38461211] [10.1038/s41467-024-46383-9]