Styrene-d8 - ≥98 atom% D, stabilized with 4-tert-butylcatechol , CAS No.19361-62-7

CAS: 19361-62-7 Cat. No.: S121282 Molecular Weight: 112.2 Beilstein Registry Number: 2327045 EC Number: 242-995-6 PubChem CID: 88025

GRADE & PURITY ≥98 atom% D, stabilized with 4-tert-butylcatechol

Synonyms

A935667 | Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)- | Styrene-d8 | (2H8)Styrene | BENZENE-1,2,3,4,5-D5,6-(ETHENYL-1,2,2-D3)- | DTXSID601015444 | EINECS 242-995-6 | Styrene-d8 (Stabilized with Hydroquinone) | 1-[(1,2,2-?H?)ethenyl](?H?)benzene | Styrene-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A935667 | Benzene-1, 2, 3, 4, 5-d5, 6-(ethenyl-1, 2, 2-d3)- | Styrene-d8 | (2H8)Styrene | BENZENE-1, 2, 3, 4, 5-D5, 6-(ETHENYL-1, 2, 2-D3)- | DTXSID601015444 | EINECS 242-995-6 | Styrene-d8 (Stabilized with Hydroquinone) | 1-[(1, 2, 2-?H?)ethenyl](?H?)benzene | Styrene-

Specifications & Purity

≥98 atom% D, stabilized with 4-tert-butylcatechol

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98 atom% D

Names and Identifiers

• Pubchem Sid: 504755917
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755917
• Canonical Smiles: C=CC1=CC=CC=C1
• IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene
• InChIKey: PPBRXRYQALVLMV-GDALLCCDSA-N
• INCHI: 1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2,2D,3D,4D,5D,6D,7D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=C([2H])[2H])[2H])[2H])[2H]
• WGK Germany: 2
• PubChem CID: 88025
• Molecular Weight: 112.2
• Beilstein: 2327045

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

• Solubility: It is soluble in water 0.24 g/L (20°C).
• Sensitivity: Air and moisture sensitive
• Refractive Index: 1.5445
• Boil Point(°C): 145-146°C
• Melt Point(°C): -31°C
• Molecular Weight: 112.200 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 112.113 Da
• Monoisotopic Mass: 112.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.100
• 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