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2-Amino-6-fluorobenzothiazole

Basic information Structure Safety Supplier Related

2-Amino-6-fluorobenzothiazole Basic information

Product Name:
2-Amino-6-fluorobenzothiazole
Synonyms:
  • TIMTEC-BB SBB000158
  • OTAVA-BB BB7110950332
  • ASISCHEM Y86622
  • 2-AMINO-6-FLUOROBENZOTHIAZOLE
  • 2-Amino-6-fluorobenzo-1,3-thiazole
  • 2-Amino-6-Fluorolbenzothiazole
  • AKOS BB-8275
  • AKOS B034895
CAS:
348-40-3
MF:
C7H5FN2S
MW:
168.19
EINECS:
609-034-6
Product Categories:
  • amine | alkyl Fluorine
  • Heterocyclic Compounds
  • BENZOTHIAZOLE
  • Building Blocks
  • Heterocyclic Building Blocks
  • Thiazoles
  • Sulphur Derivatives
Mol File:
348-40-3.mol
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2-Amino-6-fluorobenzothiazole Chemical Properties

Melting point:
183-185 °C (lit.)
Boiling point:
312.0±34.0 °C(Predicted)
Density 
1.3490 (estimate)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
3.77±0.10(Predicted)
form 
Crystalline Powder
color 
Off-white to tan
InChI
InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
CJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES
S1C2=CC(F)=CC=C2N=C1N
CAS DataBase Reference
348-40-3(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-22
Safety Statements 
26-37/39-36/37/39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29342000

MSDS

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2-Amino-6-fluorobenzothiazole Usage And Synthesis

Structure

Crystals of 2-amino-6-fluoro-1,3-benzothiazole, C7H5FN2S, have an amphiphilic layer-like structure. Each amino substituent donates two protons to hydrogen bonds and accepts one. The ring N atoms accept one proton. The F atoms are not involved in any hydrogen bonds.

Chemical Properties

off-white to tan crystalline powder

Uses

2-Amino-6-fluorobenzothiazole is a useful research chemical. An intermediate for the synthesis of benzothiazoles and aminobenzothiazoles with antimicrobial activity.

Definition

ChEBI: 6-Fluoro-1,3-benzothiazol-2-amine is a member of benzothiazoles.

Application

2-Amino-6-fluorobenzothiazole (AFBT) can be used for:
(1) Interaction of AFBT with β-cyclodextrin (β-CDx) in aqueous and solid state. The proton transfer behaviour of AFBT in aqueous and β-CDx solutions was studied.
(2) Spectroscopic studies. Fourier transform infrared spectroscopy (4000-400 cm-1) and Fourier transform Raman spectroscopy (4000-100 cm-1) measurements were carried out on AFBT to investigate the effect of fluorine and amino groups on the backbone pattern and proton chemical shifts.

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