Benzo[d]isothiazole - ≥97% , CAS No.272-16-2

CAS: 272-16-2 Cat. No.: B588510 Fórmula: C7H5NS Peso molecular: 135.19
Disponível para encomenda
GRADE & PURITY ≥97%
Synonyms
1,2-BENZISOTHIAZOLE | benzisothiazole | FT-0695436 | Benzo[d]isothiazole | 1-Thia-2-azaindene | Benzisothiazole-1,2 | 1,2-benzothiazole | CCRIS 6347 | MFCD00270827 | benzisothiazoline | D83233 | SCHEMBL22858 | AKOS006273079 | DTXSID7074290 | SCHEMBL221641
Storage
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice
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Size
Alemanha (EU)
USA*
Price
Qty
50mg
B588510-50mg
Sob encomenda · 8–12 semanas
51,98€
250mg
B588510-250mg
Sob encomenda · 8–12 semanas
173,46€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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

Sinónimos
1,2-BENZISOTHIAZOLE | benzisothiazole | FT-0695436 | Benzo[d]isothiazole | 1-Thia-2-azaindene | Benzisothiazole-1,2 | 1,2-benzothiazole | CCRIS 6347 | MFCD00270827 | benzisothiazoline | D83233 | SCHEMBL22858 | AKOS006273079 | DTXSID7074290 | SCHEMBL221641
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Store at 2-8°C,Argon charged,Desiccated
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥97%
Nomes e identificadores
Sorrisos canónicosC1=CC=C2C(=C1)C=NS2
IUPAC Name1,2-benzothiazole
InChIKeyCSNIZNHTOVFARY-UHFFFAOYSA-N
INCHI1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
SMILES isoméricas C1=CC=C2C(=C1)C=NS2
Peso molecular 135.19
Reaxy-Rn 109580
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109580&ln=

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Benzenoids  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,2-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de fusão (°C)38°C
Peso molecular135.190 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.014 Da
Monoisotopic Mass135.014 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity105.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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