5-Chloro-4-fluoro-1H-indole - ≥98% , CAS No.376646-56-9

CAS: 376646-56-9 Cat. No.: C193070 Formule: C₈H₅ClFN Poids moléculaire: 169.59 Numéro CE: 878-735-9

GRADE & PURITY ≥98%

Synonyms

SCHEMBL7448671 | EN300-342162 | AKOS006227580 | DS-12310 | 5-Chloro-4-fluoroindole | A6432 | DTXSID90378609 | C-3927 | SY114256 | AMY7543 | AB08025 | MFCD01074494 | Z1201620784 | FT-0687481 | 5-chloro-4-fluoro-1H-indole

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL7448671 | EN300-342162 | AKOS006227580 | DS-12310 | 5-Chloro-4-fluoroindole | A6432 | DTXSID90378609 | C-3927 | SY114256 | AMY7543 | AB08025 | MFCD01074494 | Z1201620784 | FT-0687481 | 5-chloro-4-fluoro-1H-indole

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1=CC(=C(C2=C1NC=C2)F)Cl

IUPAC Name

5-chloro-4-fluoro-1H-indole

InChIKey

PUXLENMUVGGZNV-UHFFFAOYSA-N

INCHI

1S/C8H5ClFN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H

Isomères SMILES

C1=CC(=C(C2=C1NC=C2)F)Cl

Poids moléculaire

169.59

Reaxy-Rn

10426169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10426169&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 Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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 2–8 °C 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 376646-56-9, the molecular formula is C8H5ClFN, and the molecular weight is 169.59 g/mol. InChIKey PUXLENMUVGGZNV-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.