Ethylbenzene-d₁₀ - ≥98%,≥99 atom% D , CAS No.25837-05-2

CAS: 25837-05-2 Cat. No.: E474137 分子式: C₆D₅CD₂CD₃ 分子量: 116.23 Beilstein Registry Number: 1960387 EC番号: 247-292-8

GRADE & PURITY ≥98%,≥99 atom% D

Synonyms

MFCD00044343 | 6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5 | Ethylbenzene D10 2000 microg/mL in Methanol | Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- | 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene | BENZENE-1,2,3,4,5-D5,6-(ETHYL-1,1,2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

Description

Ethylbenzene-d10(d10-ethylbenzene) is a deuterated NMR solvent useful in NMR-based research and analyses. The photodissociation ofd10-ethylbenzene at both 193 and 248nm has been studied using vacuum ultraviolet photoionization/multimass ion imaging techniques. The H/D exchange between ethylbenzene-d10and acidic bridging OH groups in dehydrated zeolites have been investigated in the temperature range of 303 to 393K.Ethylbenzene-d10may be used as an internal standard in the headspace solid-phase microextraction gas chromatography-mass spectrometry (HS SPME-GC-MS) analysis of odorous volatile aromatic compounds (OVACs).

Specifications

同義語

MFCD00044343 | 6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5 | Ethylbenzene D10 2000 microg/mL in Methanol | Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- | 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene | BENZENE-1,2,3,4,5-D5,6-(ETHYL-1,1,2

仕様と純度

≥98%,≥99 atom% D

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%,≥99 atom% D

名前と識別子

• パブケム・シド: 528769403
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528769403
• カノニカル・スマイル: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C([2H])([2H])[2H]
• IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
• InChIKey: YNQLUTRBYVCPMQ-CFTAVCBPSA-N
• INCHI: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
• 異性体SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
• 代替CAS番号: 100-41-4(Unlabeled)
• UN番号: 1175
• 包装グループ: II
• 分子量: 116.23
• Beilstein: 1960387

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• 感度: Light sensitive；Moisture sensitive
• 屈折率: n20/D 1.492 (lit.)
• 引火点（°F）: 59.0 °F - closed cup
• 引火点（°C）: 15.0 °C - closed cup
• 沸点（°C）: 134.6℃ (lit.)
• 融点（°C）: -95℃ (lit.)
• 分子量: 116.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 116.141 Da
• Monoisotopic Mass: 116.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 51.100
• Isotope Atom Count: 10
• 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