3-Chloroiodobenzene - ≥98%(GC), stabilized with copper , CAS No.625-99-0

CAS: 625-99-0 Cat. No.: C124310 Formula: ClC₆H₄I Peso molecolare: 238.45 Beilstein Registry Number: 1854384 Numero EC: 210-920-6

GRADE & PURITY ≥98%(GC), stabilized with copper

Synonyms

1-Chloro-3-iodobenzene | m-Chloroiodobenzene

Storage

Room temperature

Shipped In

Normal

Panoramica

The multiple-quantum proton NMR spectra of 3-chloroiodobenzene was studied.
1-Chloro-3-iodobenzene is used as a pharmaceutical intermediate.

Specifications

Sinonimi

1-Chloro-3-iodobenzene | m-Chloroiodobenzene

Specifiche e purezza

≥98%(GC), stabilized with copper

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488181599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181599

Sorrisi canonici

C1=CC(=CC(=C1)I)Cl

IUPAC Name

1-chloro-3-iodobenzene

InChIKey

JMLWXCJXOYDXRN-UHFFFAOYSA-N

INCHI

1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H

Isomeri SMILES

C1=CC(=CC(=C1)I)Cl

WGK Germania

3

Peso molecolare

238.45

Beilstein

1854384

Reaxy-Rn

1904539

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904539&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Chlorobenzenes Aryl iodides Aryl chlorides Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Chlorobenzene - Aryl iodide - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water 67.2 mg/L
• Sensibilità: Light Sensitive
• Indice di rifrazione: 1.631
• Punto di infiammabilità (°F): 215.6 °F
• Punto di infiammabilità (°C): 101°C
• Punto di ebollizione (°C): 228°C
• Punto di fusione (°C): -9°C
• Peso molecolare: 238.450 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 237.905 Da
• Monoisotopic Mass: 237.905 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 625-99-0, the molecular formula is ClC6H4I, and the molecular weight is 238.45 g/mol. InChIKey JMLWXCJXOYDXRN-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.