Styrene - analytical standard , CAS No.100-42-5

CAS: 100-42-5 Cat. No.: S110377 Formule: C₈H₈ Poids moléculaire: 104.15 Beilstein Registry Number: 1071236 Numéro CE: 202-851-5

QUALITÉ & PURETÉ Analytical standard

Synonyms

STYRENE (IARC) | STYRENE-ALPHA-13C | Vinyl benzene | Diarex hf 77 | Styrol | HSDB 171 | STYRENE [MI] | Styrene monomer | Bulstren K-525-19 | CCRIS 564 | UNII-44LJ2U959V | EC 202-851-5 | NCGC00091056-01 | STYRENE | trans-Styrene-(beta)-d | NCGC00091056-05

Storage

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

Shipped In

Wet ice,FedEx DG Service

Spécifications

Synonymes

STYRENE (IARC) | STYRENE-ALPHA-13C | Vinyl benzene | Diarex hf 77 | Styrol | HSDB 171 | STYRENE [MI] | Styrene monomer | Bulstren K-525-19 | CCRIS 564 | UNII-44LJ2U959V | EC 202-851-5 | NCGC00091056-01 | STYRENE | trans-Styrene-(beta)-d | NCGC00091056-05

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

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

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

528775231

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775231

Sourires canoniques

C=CC1=CC=CC=C1

IUPAC Name

styrene

InChIKey

PPBRXRYQALVLMV-UHFFFAOYSA-N

INCHI

1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

Isomères SMILES

C=CC1=CC=CC=C1

WGK Allemagne

1

Numéro ONU

2055

Groupe d'emballage

III

Poids moléculaire

104.15

Beilstein

1071236

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: a small molecule

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in most organic solvents such as alcohols and ethers.
• Sensibilité: Light sensitive.;Heat and Air Sensitive
• Indice de réfraction: 1.55
• Point d'éclair (°F): 89.6 °F
• Point d'éclair (°C): 32°C
• Point d'ébullition (°C): 145-146°C
• Point de fusion (°C): -31°C(lit.)
• Poids moléculaire: 104.150 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 104.063 Da
• Monoisotopic Mass: 104.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.100
• Isotope Atom Count: 0
• 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