Benzothiazole
SIAL/61427 - analytical standard
CAS Number: 95-16-9
Empirical Formula (Hill Notation): C7H5NS
Molecular Weight: 135.19
EC Number: 202-396-2
MDL Number: MFCD00005775
Linear Formula: C7H5NS
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 61427-100MG
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥97.0% (GC) |
| bp | 231 °C (lit.) |
| density | 1.238 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| impurities | ≤0.1% aniline |
| ≤5.0% water | |
| InChI | 1S/C7H5NS/c1-2-4-7-6(3-1) |
| InChI key | IOJUPLGTWVMSFF-UHFFFAOYSA |
| mp | 2 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | c1ccc2scnc2c1 |
| vapor density | 4.66 (vs air) |
| vapor pressure | 34 mmHg ( 131 °C) |
| 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. |
| General description: | 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. |
| Other Notes: | Ion Mobility: TWCCSN2 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. |
| Symbol |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 + H311 - H319 - H332 |
| Precautionary statements | P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | T |
| Risk Statements | 20-24-25-36 |
| Safety Statements | 23-26-36/37-45 |
| RIDADR | UN 2810 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Purity | ≥97.0% (GC) |
| bp | 231 °C (lit.) |
| mp | 2 °C (lit.) |
| Density | 1.238 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |