89983

Benzyl isothiocyanate

analytical standard

• Synonym(s): Benzyl mustard oil, Isothiocyanotaomethylbenzene
• Linear Formula: C₆H₅CH₂NCS
• CAS Number: 622-78-6
• Molecular Weight: 149.21
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329769572
• EC Number: 210-753-9
• Beilstein/REAXYS Number: 386135
• MDL number: MFCD00004819

Properties

• grade: analytical standard
• Quality Segment: 100
• assay: ≥98.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• impurities: ≤0.5% water
• refractive index: n20/D 1.601 (lit.), n20/D 1.602-1.605
• bp: 242-243 °C (lit.)
• density: 1.125 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: S=C=NCc1ccccc1
• InChI: 1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
• InChI key: MDKCFLQDBWCQCV-UHFFFAOYSA-N

Description

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 222.8 °F
• flash_point_c: 106 °C