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261858

Sigma-Aldrich

2-Cyano-6-methoxybenzothiazole

99%

Synonym(s):
6-Methoxy-2-benzothiazolecarbonitrile
Empirical Formula (Hill Notation):
C9H6N2OS
CAS Number:
Molecular Weight:
190.22
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

solid

mp

129-131 °C (lit.)

solubility

chloroform: soluble 5%, clear, colorless to faintly yellow

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

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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.

Packaging

1 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

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

Certificate of Analysis

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Certificate of Origin

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