2-Methyl-5-nitrobenzothiazole

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2-Methyl-5-nitrobenzothiazole Basic information
Product Name:2-Methyl-5-nitrobenzothiazole
Synonyms:2-methyl-5-nitro-benzothiazol;2-methyl-5-nitro-1,3-benzothiazole;Benzothiazole, 2-methyl-5-nitro- (6CI,7CI,8CI,9CI);2-METHYL-5-NITROBENZOTHIAZOLE,98%;Benzothiazole, 2-methyl-5-nitro-;2-Methyl-5-nitrobenzothiazole;2-Methyl-5-nitrobenzo[d]thiazole;2-Methyl-5-nitrobenzothiazole
CAS:2941-66-4
MF:C8H6N2O2S
MW:194.21
EINECS:
Product Categories:Building Blocks;Heterocyclic Building Blocks;Thiazoles;BENZOTHIAZOLE
Mol File:2941-66-4.mol
2-Methyl-5-nitrobenzothiazole Structure
2-Methyl-5-nitrobenzothiazole Chemical Properties
Melting point 134-137 °C (lit.)
Boiling point 336.5±15.0 °C(Predicted)
density 1.445±0.06 g/cm3(Predicted)
storage temp. 2-8°C
pka-0.07±0.10(Predicted)
InChI1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3
InChIKeyVEWGTWPJKSPGCD-UHFFFAOYSA-N
SMILESCc1nc2cc(ccc2s1)[N+]([O-])=O
EPA Substance Registry SystemBenzothiazole, 2-methyl-5-nitro- (2941-66-4)
Safety Information
Risk Statements 23/24/25-33
Safety Statements 36/37-45
WGK Germany 3
TSCA TSCA listed
HS Code 2934208090
Storage Class11 - Combustible Solids
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2-Methyl-5-nitrobenzothiazole Usage And Synthesis
Uses2-Methyl-5-nitro-1,3-benzothiazole can be used as a amide coupling reagent.
Synthesis Reference(s)Synthesis, p. 730, 1976 DOI: 10.1055/s-1976-24175
Synthesis2-Methyl-5-nitrobenzothiazole can be obtained by first preparing N-(2-bromo-5-nitrophenyl)-acetamide from 2-bromo-5-nitroaniline and then ring-closing.
2-Methyl-5-nitrobenzothiazole Preparation Products And Raw materials
Preparation Products5-Amino-2-methylbenzothiazole
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