61427

ベンゾチアゾール

analytical standard

• 実験式（ヒル表記法）: C₇H₅NS
• CAS番号: 95-16-9
• 分子量: 135.19
• Beilstein: 109468
• EC Number: 202-396-2
• MDL番号: MFCD00005775
• UNSPSCコード: 85151701
• PubChem Substance ID: 329759489
• NACRES: NA.24

特性

• グレード: analytical standard
• 品質水準: 100
• 蒸気密度: 4.66 (vs air)
• 蒸気圧: 34 mmHg ( 131 °C)
• アッセイ: ≥97.0% (GC)
• シェルフライフ: limited shelf life, expiry date on the label
• 不純物: ≤0.1% aniline; ≤5.0% water
• 屈折率: n20/D 1.639-1.645; n20/D 1.642 (lit.)
• bp: 231 °C (lit.)
• mp: 2 °C (lit.)
• 密度: 1.238 g/mL at 25 °C (lit.)
• アプリケーション: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• フォーマット: neat
• SMILES記法: c1ccc2scnc2c1
• InChI: 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
• InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N

詳細

詳細

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.

アプリケーション

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.

その他情報

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.

安全性情報

• ピクトグラム: GHS06
• シグナルワード: Danger
• 危険有害性情報: H301 + H311,H319,H332
• 注意書き: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2
• 保管分類コード: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 2
• 引火点(°F): 224.6 °F - Pensky-Martens closed cup
• 引火点(℃): 107 °C - Pensky-Martens closed cup