5-Chloroindoline - ≥95% , CAS No.25658-80-4

CAS: 25658-80-4 Cat. No.: C183200 Formula: C₈H₈ClN Molecular Weight: 153.61 EC Number: 247-167-8

GRADE & PURITY ≥95%

Synonyms

5-chloro-2,3-dihydro-(1h)-indole | SCHEMBL154428 | A5158 | HMS1704C15 | MFCD01941330 | 5-Chloroindoline | 5-chloro-indoline | Q-102586 | 1H-Indole, 5-chloro-2,3-dihydro- | YMCIVAPEOZDEGH-UHFFFAOYSA-N | AM20050280 | Z235537274 | DTXSID40180355 | 5-Chloroin

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

5-chloro-2,3-dihydro-(1h)-indole | SCHEMBL154428 | A5158 | HMS1704C15 | MFCD01941330 | 5-Chloroindoline | 5-chloro-indoline | Q-102586 | 1H-Indole, 5-chloro-2,3-dihydro- | YMCIVAPEOZDEGH-UHFFFAOYSA-N | AM20050280 | Z235537274 | DTXSID40180355 | 5-Chloroin

Specifications & Purity

≥95%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CNC2=C1C=C(C=C2)Cl
• IUPAC Name: 5-chloro-2,3-dihydro-1H-indole
• InChIKey: YMCIVAPEOZDEGH-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
• Isomeric SMILES: C1CNC2=C1C=C(C=C2)Cl
• Molecular Weight: 153.61
• Reaxy-Rn: 1424139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl chlorides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 153.610 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.035 Da
• Monoisotopic Mass: 153.035 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% 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 25658-80-4, the molecular formula is C8H8ClN, and the molecular weight is 153.61 g/mol. InChIKey YMCIVAPEOZDEGH-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.