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261858

2-Cyano-6-methoxybenzothiazole

99%

Synonym(s):

6-Methoxy-2-benzothiazolecarbonitrile

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About This Item

Empirical Formula (Hill Notation):
C9H6N2OS
CAS Number:
943-03-3
Molecular Weight:
190.22
NACRES:
NA.22
PubChem Substance ID:
24855838
UNSPSC Code:
12352100
MDL number:
MFCD00010537
Assay:
99%
Form:
solid
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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

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.

pictograms

Exclamation mark
GHS07

signalword

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1442924V
1442924
1438220
17412LI
15327MI

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Synthesis of luciferin glycosides as substrates for novel ultrasensitive enzyme assays.
Amess R, et al.
Carbohydrate Research, 205, 225-233 (1990)
Analogs of firefly luciferin.
White EH, et al.
The Journal of Organic Chemistry, 30(7), 2344-2348 (1965)

Global Trade Item Number

SKUGTIN
261858-1G04061826206089