2-Iodocumene - ≥98% , CAS No.19099-54-8

CAS: 19099-54-8 Cat. No.: I189064 Summenformel: C₉H₁₁I Molekulargewicht: 246.09 EG-Nummer: 242-819-8

GRADE & PURITY ≥98%

Synonyms

MFCD00013704 | EN300-646060 | SCHEMBL935174 | SY048195 | Benzene,1-iodo-2-(1-methylethyl)- | 1-iodo-2-(propan-2-yl)benzene | 2-Iodocumene | 2-Iodoisopropylbenzene | EINECS 242-819-8 | 1-iodo-2-propan-2-ylbenzene | Benzene, 1-iodo-2-(1-methylethyl)- | 2-io

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD00013704 | EN300-646060 | SCHEMBL935174 | SY048195 | Benzene,1-iodo-2-(1-methylethyl)- | 1-iodo-2-(propan-2-yl)benzene | 2-Iodocumene | 2-Iodoisopropylbenzene | EINECS 242-819-8 | 1-iodo-2-propan-2-ylbenzene | Benzene, 1-iodo-2-(1-methylethyl)- | 2-io

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488186459
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186459
• Kanonisches Lächeln: CC(C)C1=CC=CC=C1I
• IUPAC Name: 1-iodo-2-propan-2-ylbenzene
• InChIKey: SORQIYFSJAWBNQ-UHFFFAOYSA-N
• INCHI: 1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
• Isomere SMILES: CC(C)C1=CC=CC=C1I
• Molekulargewicht: 246.09
• Reaxy-Rn: 2351872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2351872&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Iodobenzenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene 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

• Empfindlichkeit: Light Sensitive
• Brechungsindex: 1.58
• Siedepunkt (°C): 117 °C/12 mmHg
• Molekulargewicht: 246.090 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.991 Da
• Monoisotopic Mass: 245.991 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 98.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 19099-54-8, the molecular formula is C9H11I, and the molecular weight is 246.09 g/mol. InChIKey SORQIYFSJAWBNQ-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.