5,6-Dichloroindole - ≥98% , CAS No.121859-57-2

CAS: 121859-57-2 Cat. No.: D155109 Summenformel: C₈H₅Cl₂N Molekulargewicht: 186.04 EG-Nummer: 695-212-9

GRADE & PURITY ≥98%

Synonyms

D-2100 | SCHEMBL613747 | SY010727 | 1H-Indole, 5,6-dichloro- | FT-0647424 | D4924 | 5,6-dichloro-1H-indole | Z1201620800 | 5,6-Dichloroindole | MFCD1075036 | EN300-122213 | AKOS005258958 | DTXSID90440698 | PS-3876 | ILINOHVVKWYAFM-UHFFFAOYSA-N | 5,6-Dichl

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

D-2100 | SCHEMBL613747 | SY010727 | 1H-Indole, 5,6-dichloro- | FT-0647424 | D4924 | 5,6-dichloro-1H-indole | Z1201620800 | 5,6-Dichloroindole | MFCD1075036 | EN300-122213 | AKOS005258958 | DTXSID90440698 | PS-3876 | ILINOHVVKWYAFM-UHFFFAOYSA-N | 5,6-Dichl

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488196679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196679
• Kanonisches Lächeln: C1=CNC2=CC(=C(C=C21)Cl)Cl
• IUPAC Name: 5,6-dichloro-1H-indole
• InChIKey: ILINOHVVKWYAFM-UHFFFAOYSA-N
• INCHI: 1S/C8H5Cl2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
• Isomere SMILES: C1=CNC2=CC(=C(C=C21)Cl)Cl
• Molekulargewicht: 186.04
• Reaxy-Rn: 7987819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7987819&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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: air sensitive ;light sensitive
• Schmelzpunkt (°C): 150°C-154.0 °C
• Molekulargewicht: 186.030 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.98 Da
• Monoisotopic Mass: 184.98 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 121859-57-2, the molecular formula is C8H5Cl2N, and the molecular weight is 186.04 g/mol. InChIKey ILINOHVVKWYAFM-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.