6-Methoxybenzo[d]thiazole-2-carbonitrile , 96% , 943-03-3

Synonym(s):
6-Methoxy-2-benzothiazolecarbonitrile

CAS NO.：943-03-3

Empirical Formula: C9H6N2OS

Molecular Weight: 190.22

MDL number: MFCD00010537

PRODUCT Properties

• Melting point: 129-131 °C (lit.)
• Boiling point: 334.9±34.0 °C(Predicted)
• Density: 1.2938 (rough estimate)
• refractive index: 1.6800 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: chloroform: soluble5%, clear, colorless to faintly yellow
• form: Crystalline Powder
• pka: -1.49±0.10(Predicted)
• color: Off-white to light yellow
• InChI: InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3
• InChIKey: DEWDWBYQOFXKIH-UHFFFAOYSA-N
• SMILES: S1C2=CC(OC)=CC=C2N=C1C#N
• CAS DataBase Reference: 943-03-3(CAS DataBase Reference)

Description and Uses

2-Cyano-6-methoxybenzothiazole is a building block for synthesis of luciferins.

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

Safety

• Symbol(GHS): 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 Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37
• RIDADR: 3439
• WGK Germany: 3
• HS Code: 29341000