Ethanol-d6 - Anhydrous Grade, ≥99 atom% D , CAS No.1516-08-1

CAS: 1516-08-1 Cat. No.: E102260 분자식: CD₃CD₂OD 분자량: 52.11 Beilstein Registry Number: 1699096 EC 번호: 216-162-2 PubChem CID: 102138

GRADE & PURITY Anhydrous Grade, ≥99 atom% D

Synonyms

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

description：

Ethanol-d6 is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

application：

Ethanol-d6 may be used as a solvent for the tributylphosphine (PBu3) induced 5-exo cyclization of an o-alkynoylphenol to form deuterated aurone.

Specifications

동의어

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

사양 및 순도

Anhydrous Grade, ≥99 atom% D

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

등급

Anhydrous Grade

순수함

≥99 atom% D

이름과 식별자

Pubchem Sid

504756508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756508

정식 스마일

CCO

IUPAC Name

1,1,1,2,2-pentadeuterio-2-deuteriooxyethane

InChIKey

LFQSCWFLJHTTHZ-LIDOUZCJSA-N

INCHI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D

이성체 SMILES

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

WGK 독일

1

PubChem CID

102138

UN 번호

1170

분자량

52.11

Beilstein

1699096

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (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

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Hygroscopic；Heat sensitive
• 굴절률: 1.358
• 발화점(°F): 57.2 °F
• 발화점(°C): 14°C
• 끓는점(°C): 78°C
• 녹는점(°C): -130 °C (lit.)
• 분자량: 52.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 52.0795 Da
• Monoisotopic Mass: 52.0795 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• Isotope Atom Count: 6
• 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