Determine the necessary mass, volume, or concentration for preparing a solution.
1,3-Dichloroisoquinoline-6-carboxylic acid - ≥97% , CAS No.1416712-68-9
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Room temperature
224,000+ productos de investigación · Triple ISO certified · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items
Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥97%
Nombres e identificadores
| Sonrisas canónicas | C1=CC2=C(N=C(C=C2C=C1C(=O)O)Cl)Cl |
|---|---|
| IUPAC Name | 1,3-dichloroisoquinoline-6-carboxylic acid |
| InChIKey | KTZMHKYHEQOTGW-UHFFFAOYSA-N |
| INCHI | 1S/C10H5Cl2NO2/c11-8-4-6-3-5(10(14)15)1-2-7(6)9(12)13-8/h1-4H,(H,14,15) |
| Isómeros SMILES | C1=CC2=C(N=C(C=C2C=C1C(=O)O)Cl)Cl |
| PubChem CID | 75412035 |
| Peso molecular | 242.05 |
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
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | Polyhalopyridines 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - Polyhalopyridine - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 242.050 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.97 Da |
| Monoisotopic Mass | 240.97 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |
Calculadoras de soluciones
Reseñas
Reseñas de cliente
Remind me later
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.