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261858

2-Cyano-6-methoxybenzothiazole

Name: 2-Cyano-6-methoxybenzothiazole
Brand: ALDRICH

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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Properties

Quality Segment

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.

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335

pcodes

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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