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469114

6-Nitrobenzothiazole

99%

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About This Item

Empirical Formula (Hill Notation):
C7H4N2O2S
CAS Number:
2942-06-5
Molecular Weight:
180.18
NACRES:
NA.22
PubChem Substance ID:
24870559
UNSPSC Code:
12352100
EC Number:
220-933-9
MDL number:
MFCD00014569
Assay:
99%
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Quality Segment

100

assay

99%

mp

175-178 °C (lit.)

functional group

nitro

SMILES string

[O-][N+](=O)c1ccc2ncsc2c1

InChI

1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H

InChI key

QLUFBCVWKTWKBF-UHFFFAOYSA-N

General description

The XCORFE (Xnucleus-proton correlation with fixed evolution time) pulse sequence of 6-nitrobenzothiazole has been tested.

Application

6-Nitrobenzothiazole may be used in the preparation of 4-amino-3-sulfanylbenzonitrile and 2-amino-5-nitrobenzothiole, via alkaline hydrolysis.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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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