4-Chloro-5-fluoroindole - ≥97% , CAS No.169674-02-6

CAS: 169674-02-6 Cat. No.: C191469 Formula: C₈H₅ClFN Peso molecolare: 169.58

GRADE & PURITY ≥97%

Synonyms

SY033207 | TUYZSKJQXNCPLN-UHFFFAOYSA-N | A3745 | MFCD12924664 | DTXSID90469344 | FT-0687477 | 4-CHLORO-5-FLUOROINDOLE | SCHEMBL8959626 | DS-12485 | 4-chloro-5-fluoro-1H-indole | F30325 | MB12195 | AKOS022176147

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

SY033207 | TUYZSKJQXNCPLN-UHFFFAOYSA-N | A3745 | MFCD12924664 | DTXSID90469344 | FT-0687477 | 4-CHLORO-5-FLUOROINDOLE | SCHEMBL8959626 | DS-12485 | 4-chloro-5-fluoro-1H-indole | F30325 | MB12195 | AKOS022176147

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C2=C1NC=C2)Cl)F
• IUPAC Name: 4-chloro-5-fluoro-1H-indole
• InChIKey: TUYZSKJQXNCPLN-UHFFFAOYSA-N
• INCHI: 1S/C8H5ClFN/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,11H
• Isomeri SMILES: C1=CC(=C(C2=C1NC=C2)Cl)F
• Peso molecolare: 169.58
• Reaxy-Rn: 7758162
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7758162&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl fluorides Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 300 °C at 760 mmHg
• Punto di fusione (°C): 21-22 °C
• Peso molecolare: 169.580 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 169.009 Da
• Monoisotopic Mass: 169.009 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Domande frequenti

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, 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 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 169674-02-6, the molecular formula is C8H5ClFN, and the molecular weight is 169.58 g/mol. InChIKey TUYZSKJQXNCPLN-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.