2-Amino-6-fluorobenzothiazole - CAS 348-40-3
Catalog: |
BB022318 |
Product Name: |
2-Amino-6-fluorobenzothiazole |
CAS: |
348-40-3 |
Synonyms: |
6-fluoro-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-fluoro-1,3-benzothiazol-2-amine |
Description: | 2-Amino-6-fluorobenzothiazole (CAS# 348-40-3) is a useful research chemical. An intermediate for the synthesis of benzothiazoles and aminobenzothiazoles with antimicrobial activity. |
Molecular Weight: | 168.19 |
Molecular Formula: | C7H5FN2S |
Canonical SMILES: | C1=CC2=C(C=C1F)SC(=N2)N |
InChI: | InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) |
InChI Key: | CJLUXPZQUXVJNF-UHFFFAOYSA-N |
Boiling Point: | 312 °C at 760 mmHg |
Melting Point: | 181-185 °C |
Purity: | 97 % |
Density: | 181-185 °C g/cm3 |
Appearance: | Off-white to tan crystalline powder |
MDL: | MFCD00013336 |
LogP: | 2.59880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045993-A | Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof | 20210325 |
KR-20210105042-A | An electroluminescent compound and an electroluminescent device comprising the same | 20200218 |
WO-2021155716-A1 | Pyridopyrimidinone compound and application thereof | 20200204 |
KR-20210076879-A | Novel pyrimidine derivatives and use thereof | 20191216 |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.01574750 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.01574750 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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