ChemicalBook > CAS DataBase List > Benzothiazole-2-acetonitrile

Benzothiazole-2-acetonitrile

Product Name
Benzothiazole-2-acetonitrile
CAS No.
56278-50-3
Chemical Name
Benzothiazole-2-acetonitrile
Synonyms
AURORA KA-6243;2-Benzothiazoleace;2-(2-Aminothiazol-4-yl);2-BENZOTHIAZOLEACETONITRILE;2-Benzothiazol acetonitrile;2-(Cyanomethyl)benzothiazole;BENZOTHIAZOLE-2-ACETONITRILE;BENZOTHIAZOL-2-YL-ACETONITRILE;2-Cyanomethyl-1,3-benzothiazole;2-Benzothiazoleacetonitrile,98%
CBNumber
CB9493461
Molecular Formula
C9H6N2S
Formula Weight
174.22
MOL File
56278-50-3.mol
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Benzothiazole-2-acetonitrile Property

Melting point:
98-101 °C (lit.)
Boiling point:
329.6±25.0 °C(Predicted)
Density 
1.315±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
pka
0.10±0.10(Predicted)
form 
solid
color 
Yellow
Water Solubility 
Slightly soluble in water.
BRN 
128460
InChI
InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChIKey
ZMZSYUSDGRJZNT-UHFFFAOYSA-N
SMILES
S1C2=CC=CC=C2N=C1CC#N
CAS DataBase Reference
56278-50-3(CAS DataBase Reference)
NIST Chemistry Reference
2-Cyanomethyl-1,3-benzothiazole(56278-50-3)
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Safety

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-36-36/37/39
RIDADR 
3439
WGK Germany 
3
Hazard Note 
Harmful
HazardClass 
6.1
PackingGroup 
III
HS Code 
2934208090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
443042
Product name
2-Benzothiazoleacetonitrile
Purity
98%
Packaging
1g
Price
$26
Updated
2023/01/07
Sigma-Aldrich
Product number
443042
Product name
2-Benzothiazoleacetonitrile
Purity
98%
Packaging
5g
Price
$31
Updated
2023/01/07
TCI Chemical
Product number
B6388
Product name
1,3-Benzothiazol-2-ylacetonitrile
Purity
min. 98.0 %
Packaging
1G
Price
$24
Updated
2025/07/31
TCI Chemical
Product number
B6388
Product name
1,3-Benzothiazol-2-ylacetonitrile
Purity
min. 98.0 %
Packaging
5G
Price
$74
Updated
2025/07/31
TRC
Product number
B206655
Product name
1,3-Benzothiazol-2-ylacetonitrile
Packaging
10g
Price
$165
Updated
2021/12/16
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Benzothiazole-2-acetonitrile Chemical Properties,Usage,Production

Uses

2-Benzothiazoleacetonitrile is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dye stuffs.

Uses

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.

Production Methods

Benzothiazole-2-acetonitrile is produced by the reaction of 1- amino-2-mercaptobenzene (o-aminothiophenol) with the monoiminoether hydrochloride of malononitrile and is used as a condensation component for methine dyes.

References

[1] European Journal of Medicinal Chemistry, 2017, vol. 136, p. 270 - 282
[2] Archiv der Pharmazie (Weinheim, Germany), 1988, vol. 321, p. 509 - 512
[3] Journal of the Chinese Chemical Society, 2010, vol. 57, # 2, p. 213 - 221
[4] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 4025 - 4034
[5] Dalton Transactions, 2014, vol. 43, # 14, p. 5595 - 5602

Benzothiazole-2-acetonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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Benzothiazole-2-acetonitrile Suppliers

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View Lastest Price from Benzothiazole-2-acetonitrile manufacturers

Career Henan Chemical Co
Product
Benzothiazole-2-acetonitrile 56278-50-3
Price
US $1.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
200kg
Release date
2018-12-20

56278-50-3, Benzothiazole-2-acetonitrileRelated Search:

2,2'-Dithiobis(benzothiazole) 2-Mercaptobenzothiazole Benzothiazole Iminodiacetonitrile Benzo[b]thien-2-ylboronic acid BENZOFURAN-3-BORONIC ACID Benzomorpholine METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE (1H-BENZOIMIDAZOL-2-YL)-ACETIC ACID 2-(Benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, 2-Benzofuranboronic acid MIDA ester Benzimidazole-5,6-dicarboxylic acid 2-Aminobenzo[b]thiophene 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole acetonitrile Benzeneacetonitrile Acetonitrile (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-[4-(DIMETHYLAMINO)PHENYL]ACRYLONITRILE Benzothiazole-2-acetonitrile

  • JR-8287, 2-Benzothiazoleacetonitrile, 97%
  • 2-(Cyanomethyl)benzothiazole
  • 2-Benzothiazoleacetonitrile,98%
  • 2-BENZOTHIAZOLEACETONITRILE
  • 2-Cyanomethyl-1,3-benzothiazole
  • 2-(1,3-BENZOTHIAZOL-2-YL)ACETONITRILE
  • 1,3-BENZOTHIAZOL-2-YLACETONITRILE
  • AURORA KA-6243
  • BENZOTHIAZOLE-2-YL-ACETONITRILE
  • 2-Benzothiazoleace
  • BENZOTHIAZOLE-2-ACETONITRILE
  • BENZOTHIAZOL-2-YL-ACETONITRILE
  • 2-Benzothiazoleacetonitrile(9CI)
  • 2-(2-Aminothiazol-4-yl)
  • 2-(benzo[d]thiazol-2-yl)acetonitrile
  • 2-Benzothiazol acetonitrile
  • Benzothiazole-2-acetonitrile,>98%
  • 56278-50-3
  • 56778-50-3
  • C9H6N2S
  • Thiazoles
  • Heterocyclic Building Blocks
  • Building Blocks
  • Sulphur Derivatives
  • Thiazoles, Isothiazoles &Benzothiazoles
  • API intermediates
  • Thiazoles, Isothiazoles & Benzothiazoles
  • Building Blocks
  • Heterocyclic Building Blocks
  • Thiazoles
  • Nitrogen cyclic compounds
  • BENZOTHIAZOLE