61427

Benzothiazole

analytical standard

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

Propiedades

• grado: analytical standard
• Nivel de calidad: 100
• densidad de vapor: 4.66 (vs air)
• presión de vapor: 34 mmHg ( 131 °C)
• Ensayo: ≥97.0% (GC)
• caducidad: limited shelf life, expiry date on the label
• impurezas: ≤0.1% aniline; ≤5.0% water
• índice de refracción: n20/D 1.639-1.645; n20/D 1.642 (lit.)
• bp: 231 °C (lit.)
• mp: 2 °C (lit.)
• densidad: 1.238 g/mL at 25 °C (lit.)
• aplicaciones: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Formato: neat
• cadena SMILES: c1ccc2scnc2c1
• InChI: 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
• Clave InChI: IOJUPLGTWVMSFF-UHFFFAOYSA-N

Descripción

Descripción general

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.

Aplicación

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.

Otras 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.

Información de seguridad

• Pictogramas: GHS06
• Palabra de señalización: Danger
• Frases de peligro: H301 + H311,H319,H332
• Consejos de prudencia: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Clasificaciones de peligro: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2
• Código de clase de almacenamiento: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Clase de riesgo para el agua (WGK): WGK 2
• Punto de inflamabilidad (°F): 224.6 °F - Pensky-Martens closed cup
• Punto de inflamabilidad (°C): 107 °C - Pensky-Martens closed cup