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

CAS: 25837-05-2 Cat. No.: E474137 Formula: C₆D₅CD₂CD₃ Molecular Weight: 116.23 Beilstein Registry Number: 1960387 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%,≥99 atom% D

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%,≥99 atom% D

Names and Identifiers

• Pubchem Sid: 528769403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528769403
• Canonical Smiles: [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
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
• Alternate CAS: 100-41-4(Unlabeled)
• UN Number: 1175
• Packing Group: II
• Molecular Weight: 116.23
• Beilstein: 1960387

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• x_refractive_index: n20/D 1.492 (lit.)
• x_flash_point_drop_fahrenheit: 59.0 °F - closed cup
• x_flash_point_drop_centigrade: 15.0 °C - closed cup
• x_boil_point_char: 134.6℃ (lit.)
• x_melt_point_char: -95℃ (lit.)
• Molecular Weight: 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