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443042

Sigma-Aldrich

2-Benzothiazoleacetonitrile

98%

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About This Item

Empirical Formula (Hill Notation):
C9H6N2S
CAS Number:
56278-50-3
Molecular Weight:
174.22
MDL number:
MFCD00051633
UNSPSC Code:
12352100
PubChem Substance ID:
24868043
NACRES:
NA.22

Assay

98%

mp

98-101 °C (lit.)

SMILES string

N#CCc1nc2ccccc2s1

InChI

1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2

InChI key

ZMZSYUSDGRJZNT-UHFFFAOYSA-N

Application

2-Benzothiazoleacetonitrile may be used for the preparation of 3-aryl-1-[(E)-cyanomethylidene]-1H-pyrido[2,1-b]benzothiazole-4-carbonitriles, via reaction with with 6-aryl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile. It may be employed in the preparation of pyrrolones, which can be used for the synthesis of 1-acyl-3-aryl-3H-pyrrolo[2′,3′:4,5]pyrimido[6,1-b]benzothiazol-6-ium-2-olates.

Pictograms

Exclamation mark
GHS07

Signal Word

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

443042-VAR:
443042-BULK:
443042-1G:4548173151816
443042-5G:4548173151823

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Certificates of Analysis (COA)

Lot/Batch Number
0000164199
03830MH
04831MH
06018AH

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An interaction of 2-thiazoleacetonitriles with N-(2-chloroacetyl) anthranilic acid ester.
Resnyanska EV, et al.
Heterocycles, 63(4), 797-807 (2004)
Carbanion induced synthesis of pyrido [2, 1-b] benzothiazoles through ring transformation reactions.
Ram VJ, et al.
J. Chem. Res. (M), 2001(10), 421-423 (2001)
Synthesis of pyrrolo [2, 3-c] 2, 7-naphthyridine derivatives by cascade heterocyclization reaction of 2-amino-4-cyanomethyl-6-dialkylamino-3, 5-pyridinedicarbonitriles.
Tverdokhlebov AV, et al.
Tetrahedron, 60(27), 5777-5783 (2004)
A simple synthesis of 1-acyl-3-aryl-3H-pyrrolo [2', 3': 4, 5] pyrimido [6, 1-b] benzothiazol-6-ium-2-olates: Betainic derivatives of a novel heterocyclic system.
Resnyanskaya EV, et al.
Synthesis, 18, 2717-2724 (2002)

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