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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1,2-Benzothiazole-3-carboxylic acid - ≥97% , CAS No.40991-34-2
Synonyms
BENZO[D]ISOTHIAZOLE-3-CARBOXYLIC ACID | AB09662 | SCHEMBL260433 | F8886-2549 | 1,2-benzothiazole-3-carboxylic acid | 1,2-Benzisothiazole-3-carboxylic acid | EN300-160657 | DTXSID10193992 | Acido 3-benzisotiazolcarbossilic | benzisothiazole-3-carboxylic ac
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
BENZO[D]ISOTHIAZOLE-3-CARBOXYLIC ACID | AB09662 | SCHEMBL260433 | F8886-2549 | 1, 2-benzothiazole-3-carboxylic acid | 1, 2-Benzisothiazole-3-carboxylic acid | EN300-160657 | DTXSID10193992 | Acido 3-benzisotiazolcarbossilic | benzisothiazole-3-carboxylic ac
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas C1=CC=C2C(=C1)C(=NS2)C(=O)O IUPAC Name 1,2-benzothiazole-3-carboxylic acid InChIKey KTORKRBAIRTBCP-UHFFFAOYSA-N INCHI 1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11) Isómeros SMILES C1=CC=C2C(=C1)C(=NS2)C(=O)O CAS alternativo 40991-34-2 PubChem CID 94512 Peso molecular 179.19
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Thiazolecarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,2-benzothiazole - Thiazolecarboxylic acid or derivatives - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 179.200 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 179.004 Da Monoisotopic Mass 179.004 Da Topological Polar Surface Area 78.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 197.000 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
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