1-Phenylcyclopentene - ≥97%,stabilized with BHT , CAS No.825-54-7

CAS: 825-54-7 Cat. No.: C590262 Formula: C₁₁H₁₂ Molecular Weight: 144.21 EC Number: 822-708-6

GRADE & PURITY ≥97%, stabilized with BHT

Synonyms

1-Cyclopenten-1-ylbenzene # | AKOS003632371 | FT-0600284 | SY200069 | 1-Cyclopenten-1-ylbenzene | 1-Phenylcyclopentene | cyclopenten-1-ylbenzene | F14027 | NSC 116894 | Benzene, 1-cyclopenten-1-yl- | DTXSID20231798 | EN300-205133 | cyclopentenylbenzene |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1-Cyclopenten-1-ylbenzene # | AKOS003632371 | FT-0600284 | SY200069 | 1-Cyclopenten-1-ylbenzene | 1-Phenylcyclopentene | cyclopenten-1-ylbenzene | F14027 | NSC 116894 | Benzene, 1-cyclopenten-1-yl- | DTXSID20231798 | EN300-205133 | cyclopentenylbenzene |

Specifications & Purity

≥97%,stabilized with BHT

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC=C(C1)C2=CC=CC=C2
• IUPAC Name: cyclopenten-1-ylbenzene
• InChIKey: CXMYOMKBXNPDIW-UHFFFAOYSA-N
• INCHI: 1S/C11H12/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,4-5,9H2
• Isomeric SMILES: C1CC=C(C1)C2=CC=CC=C2
• NSC Number: NSC Number': ['116894
• Molecular Weight: 144.21
• Reaxy-Rn: 2039439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039439&ln=

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 Cycloalkenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated hydrocarbon - Olefin - 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: Moisture sensitive
• Melt Point(°C): 22 °C
• Molecular Weight: 144.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.094 Da
• Monoisotopic Mass: 144.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 825-54-7, the molecular formula is C11H12, and the molecular weight is 144.21 g/mol. InChIKey CXMYOMKBXNPDIW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.