61427

Benzothiazole

analytical standard

• Fórmula empírica (Notação de Hill): C₇H₅NS
• Número CAS: 95-16-9
• Peso molecular: 135.19
• Beilstein: 109468
• Número CE: 202-396-2
• Número MDL: MFCD00005775
• Código UNSPSC: 85151701
• ID de substância PubChem: 329759489
• NACRES: NA.24

Propriedades

• grau: analytical standard
• Nível de qualidade: 100
• densidade de vapor: 4.66 (vs air)
• pressão de vapor: 34 mmHg ( 131 °C)
• Ensaio: ≥97.0% (GC)
• prazo de validade: limited shelf life, expiry date on the label
• Impurezas: ≤0.1% aniline; ≤5.0% water
• índice de refração: n20/D 1.639-1.645; n20/D 1.642 (lit.)
• p.e.: 231 °C (lit.)
• pf: 2 °C (lit.)
• densidade: 1.238 g/mL at 25 °C (lit.)
• aplicação(ões): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Formato: neat
• cadeia de caracteres SMILES: c1ccc2scnc2c1
• InChI: 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
• chave InChI: IOJUPLGTWVMSFF-UHFFFAOYSA-N

Descrição

Descrição geral

Benzothiazole is a naturally occurring bicyclic heteroaromatic compound with various pharmacological activities including anticancer, antimicrobial, anticonvulsant, antiviral, antitubercular, antimalarial, antihelmintic, analgesic, anti-inflammatory, antidiabetic, and fungicidal effects. It is also a known aroma constituent of tea leaves and cranberries.

Aplicação

Benzothiazole may be used as an analytical standard for the determination of the analyte in clothing textile samples, environmental water samples, and grapes/wine by various chromatography-based techniques.

Outras notas

Ion Mobility: ^TWCCS_N2 value of 121.0 Å2 [M+H]⁺

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com

Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N 61427 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Informações de segurança

• Pictogramas: GHS06
• Palavra indicadora: Danger
• Frases de perigo: H301 + H311,H319,H332
• Declarações de precaução: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2
• Código de classe de armazenamento: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de risco de água (WGK): WGK 2
• Ponto de fulgor (°F): 224.6 °F - Pensky-Martens closed cup
• Ponto de fulgor (°C): 107 °C - Pensky-Martens closed cup