61427

Benzothiazole

analytical standard

• Formule empirique (notation de Hill): C₇H₅NS
• Numéro CAS: 95-16-9
• Poids moléculaire : 135.19
• Numéro Beilstein : 109468
• Numéro CE : 202-396-2
• Numéro MDL: MFCD00005775
• Code UNSPSC : 85151701
• ID de substance PubChem : 329759489
• Nomenclature NACRES : NA.24

Propriétés

• Qualité: analytical standard
• Niveau de qualité: 100
• Densité de vapeur: 4.66 (vs air)
• Pression de vapeur: 34 mmHg ( 131 °C)
• Pureté: ≥97.0% (GC)
• Durée de conservation: limited shelf life, expiry date on the label
• Impuretés: ≤0.1% aniline; ≤5.0% water
• Indice de réfraction: n20/D 1.639-1.645; n20/D 1.642 (lit.)
• Point d'ébullition: 231 °C (lit.)
• Pf: 2 °C (lit.)
• Densité: 1.238 g/mL at 25 °C (lit.)
• Application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Format: neat
• Chaîne SMILES: c1ccc2scnc2c1
• InChI: 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
• Clé InChI: IOJUPLGTWVMSFF-UHFFFAOYSA-N

Description

Description générale

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.

Application

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.

Autres remarques

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.

Informations sur la sécurité

• Pictogrammes: GHS06
• Mention d'avertissement: Danger
• Mentions de danger: H301 + H311,H319,H332
• Conseils de prudence: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Classification des risques: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 2
• Point d'éclair (°F): 224.6 °F - Pensky-Martens closed cup
• Point d'éclair (°C): 107 °C - Pensky-Martens closed cup