2-プロパノール-D8 - ≥99原子％以上 D , CAS No.22739-76-0

CAS: 22739-76-0 Cat. No.: P123720 分子式: CD₃CD(OD)CD₃ 分子量: 68.14 Beilstein Registry Number: 1816231 EC番号: 245-189-2

グレード＆純度 ≥99 atom% D

Synonyms

2-Propanol-d8|22739-76-0|(O,1,1,1,2,3,3,3-2H8)Propan-2-ol|1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane|iso-Propyl Alcohol-d8|EINECS 245-189-2|2-Propan-1,1,1,2,3,3,3-d7-ol-d|Isopropanol-d8|MFCD00044341|DTXSID30177279|2-Propanol-d8, 99.5原子％ D|AKOS01

Storage

Argon charged,Room temperature

Shipped In

ノーマル

概要

2-プロパノール-d8（イソプロパノール-d8）はイソプロパノールの重水素化誘導体である。2-プロパノール(D8)中でのアセトン(D6)の還元反応における相関ラジカル対(SCRP)の生成と崩壊をフーリエ変換電子常磁性共鳴(FT-EPR)分光法により研究した。ベンゾフェノンの三重項崩壊定数、三重項寿命、光還元反応速度定数を評価する際に溶媒として関与する。

仕様

同義語

2-Propanol-d8 | 22739-76-0 | (O,1,1,1,2,3,3,3-2H8)Propan-2-ol | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | iso-Propyl Alcohol-d8 | EINECS 245-189-2 | 2-Propan-1,1,1,2,3,3,3-d7-ol-d | Isopropanol-d8 | MFCD00044341 | DTXSID30177279 | 2-Propanol-d8, 99.5原子％ D | AKOS01

仕様と純度

≥99原子％以上 D

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥99 atom% D

名前と識別子

パブケム・シド

504760843

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760843

カノニカル・スマイル

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

異性体SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H]

WGKドイツ

3

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Completely soluble in water.
• 感度: Moisture sensitive.
• 屈折率: 1.3728
• 引火点（°F）: 53.6 °F
• 引火点（°C）: 12 °C
• 沸点（°C）: 82°C
• 融点（°C）: -89.5°C
• 分子量: 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