ChemicalBook--->CAS DataBase List--->2941-66-4

2941-66-4

2941-66-4 Structure

2941-66-4 Structure
IdentificationBack Directory
[Name]

2-METHYL-5-NITROBENZOTHIAZOLE
[CAS]

2941-66-4
[Synonyms]

2-methyl-5-nitro-benzothiazol
2-METHYL-5-NITROBENZOTHIAZOLE
2-Methyl-5-nitrobenzo[d]thiazole
2-METHYL-5-NITROBENZOTHIAZOLE,98%
2-methyl-5-nitro-1,3-benzothiazole
Benzothiazole, 2-methyl-5-nitro- (6CI,7CI,8CI,9CI)
[Molecular Formula]

C8H6N2O2S
[MDL Number]

MFCD00602735
[MOL File]

2941-66-4.mol
[Molecular Weight]

194.21
Chemical PropertiesBack Directory
[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)
[InChI]

1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3
[InChIKey]

VEWGTWPJKSPGCD-UHFFFAOYSA-N
[SMILES]

Cc1nc2cc(ccc2s1)[N+]([O-])=O
[EPA Substance Registry System]

Benzothiazole, 2-methyl-5-nitro- (2941-66-4)
Safety DataBack Directory
[Risk Statements ]

23/24/25-33
[Safety Statements ]

36/37-45
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2934208090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-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
[Synthesis]

2-Methyl-5-nitrobenzothiazole can be obtained by first preparing N-(2-bromo-5-nitrophenyl)-acetamide from 2-bromo-5-nitroaniline and then ring-closing.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-5-NITROBENZOTHIAZOLE(2941-66-4)1HNMR
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