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5-Fluoro-1-benzothiophene-2-carbonyl chloride - ≥95% , CAS No.1190198-22-1
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | C1=CC2=C(C=C1F)C=C(S2)C(=O)Cl |
|---|---|
| IUPAC Name | 5-fluoro-1-benzothiophene-2-carbonyl chloride |
| InChIKey | ZKGYNEVYYSCZJA-UHFFFAOYSA-N |
| INCHI | 1S/C9H4ClFOS/c10-9(12)8-4-5-3-6(11)1-2-7(5)13-8/h1-4H |
| Isomeric SMILES | C1=CC2=C(C=C1F)C=C(S2)C(=O)Cl |
| PubChem CID | 45588388 |
| Molecular Weight | 214.65 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Benzothiophenes
- Subclass 1-benzothiophenes
- Class Benzothiophenes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Aryl fluorides Heteroaromatic compounds Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Acyl halide - Acyl chloride - Organic oxide - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 214.640 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 213.966 Da |
| Monoisotopic Mass | 213.966 Da |
| Topological Polar Surface Area | 45.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
Solution Calculators
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