cis-β-Methylstyrene (stabilized with TBC) - ≥98% , CAS No.766-90-5

CAS: 766-90-5 Cat. No.: C153576 Summenformel: C₉H₁₀ Molekulargewicht: 118.18 EG-Nummer: 672-686-5

GRADE & PURITY ≥98%

Synonyms

D91456 | BENZENE, (1Z)-1-PROPEN-1-YL- | cis-beta-Methylstyrene | cis-.beta.-Methylstyrene | (1Z)-1-Propenylbenzene # | 8NJI11T1B3 | Benzene, propenyl-, (Z)- | cis-1-Phenyl-1-propene | cis-Propenylbenzene | Benzene, propen-1-yl-, (Z)- | (Z)-prop-1-en-1-ylb

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

D91456 | BENZENE, (1Z)-1-PROPEN-1-YL- | cis-beta-Methylstyrene | cis-.beta.-Methylstyrene | (1Z)-1-Propenylbenzene # | 8NJI11T1B3 | Benzene, propenyl-, (Z)- | cis-1-Phenyl-1-propene | cis-Propenylbenzene | Benzene, propen-1-yl-, (Z)- | (Z)-prop-1-en-1-ylb

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504758118
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758118
• Kanonisches Lächeln: CC=CC1=CC=CC=C1
• IUPAC Name: [(Z)-prop-1-enyl]benzene
• InChIKey: QROGIFZRVHSFLM-KXFIGUGUSA-N
• INCHI: 1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-
• Isomere SMILES: C/C=C\C1=CC=CC=C1
• Molekulargewicht: 118.18
• Reaxy-Rn: 1679279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1679279&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.54
• Flammpunkt (°F): 45°C(lit.)
• Flammpunkt (°C): 45°C(lit.)
• Siedepunkt (°C): 174°C
• Schmelzpunkt (°C): -60°C(lit.)
• Molekulargewicht: 118.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1