Cyclopropylbenzene - ≥95% , CAS No.873-49-4

CAS: 873-49-4 Cat. No.: C300934 Formule: C₉H₁₀ Poids moléculaire: 118.179 Numéro CE: 212-839-1

GRADE & PURITY ≥95%

Synonyms

A19255 | 1-Phenylcyclopropane | Phenylcyclopropane | SY002709 | BCP20953 | UNII-S36BKW6LVE | AKOS009157418 | S36BKW6LVE | InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H | EINECS 212-839-1 | MFCD00001275 | NSC 3018 | Cyclopropane, phenyl- | Cyclopropylb

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Cyclopropylbenzene is a cyclopropylarene and its oxidation by rabbit liver microsomal cytochrome P-450 has been studied. Gas-phase structure of cyclopropylbenzene has been studied by ab initio computational, microwave spectroscopic and electron diffraction techniques.

Specifications

Synonymes

A19255 | 1-Phenylcyclopropane | Phenylcyclopropane | SY002709 | BCP20953 | UNII-S36BKW6LVE | AKOS009157418 | S36BKW6LVE | InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H | EINECS 212-839-1 | MFCD00001275 | NSC 3018 | Cyclopropane, phenyl- | Cyclopropylb

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488184476

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184476

Sourires canoniques

C1CC1C2=CC=CC=C2

IUPAC Name

cyclopropylbenzene

InChIKey

VFSFCYAQBIPUSL-UHFFFAOYSA-N

INCHI

1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2

Isomères SMILES

C1CC1C2=CC=CC=C2

Poids moléculaire

118.179

Reaxy-Rn

1902839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902839&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.533
• Point d'éclair (°F): 111.2 °F
• Point d'éclair (°C): 44 °C
• Point d'ébullition (°C): 173.6 °C/753 mmHg
• Poids moléculaire: 118.180 g/mol
• XLogP3: 3.300
• 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: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 873-49-4, the molecular formula is C9H10, and the molecular weight is 118.179 g/mol. InChIKey VFSFCYAQBIPUSL-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.