261858

2-Cyano-6-methoxybenzothiazole

99%

• Synonym(s): 6-Methoxy-2-benzothiazolecarbonitrile
• Empirical Formula (Hill Notation): C₉H₆N₂OS
• CAS Number: 943-03-3
• Molecular Weight: 190.22
• MDL number: MFCD00010537
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855838
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 99%
• form: solid
• mp: 129-131 °C (lit.)
• solubility: chloroform: soluble 5%, clear, colorless to faintly yellow
• functional group: nitrile
• SMILES string: COc1ccc2nc(sc2c1)C#N
• InChI: 1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3
• InChI key: DEWDWBYQOFXKIH-UHFFFAOYSA-N

Description

Application

2-Cyano-6-methoxybenzothiazole has been used in the synthesis of:

• firefly luciferin via condensation with cysteine
• luciferin β-glycosides, substrates for novel ultrasensitive enzyme assays

Luciferin intermediate.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312 + H332,H315,H319,H335
• Precautionary Statements: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves