2-Amino-6-nitrobenzothiazole - CAS 6285-57-0
Catalog: |
BB031846 |
Product Name: |
2-Amino-6-nitrobenzothiazole |
CAS: |
6285-57-0 |
Synonyms: |
6-nitro-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-nitro-1,3-benzothiazol-2-amine |
Description: | 2-Amino-6-nitrobenzothiazole (CAS# 6285-57-0) is a metal corrosion inhibitor; used in preparation of polishing liquid for processing surface of ultra-smooth low-damage bearing steel. |
Molecular Weight: | 195.20 |
Molecular Formula: | C7H5N3O2S |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N |
InChI: | InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9) |
InChI Key: | GPNAVOJCQIEKQF-UHFFFAOYSA-N |
Boiling Point: | 411.7 °C at 760 mmHg |
Melting Point: | 247-252 °C |
Purity: | 98 % |
Density: | 1.649 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | Orange crystals or yellow powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 2.89110 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264950-A | Method for synthesizing benzothiazole [2, 3-b ] quinazoline-7, 12-diketone by catalysis of sulfonated-beta-cyclodextrin | 20210508 |
CN-113045993-A | Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof | 20210325 |
CN-112778793-A | Pyridone dispersed orange yellow dye composition and fabric dyeing process thereof | 20201231 |
CN-112500713-A | Continuous preparation method of azo disperse dye | 20201203 |
CN-112457682-A | Disperse dye ink for digital ink-jet printing and preparation method and application thereof | 20201124 |
PMID | Publication Date | Title | Journal |
22091071 | 20110801 | 2-Amino-6-nitro-1,3-benzothia-zol-3-ium hydrogen sulfate | Acta crystallographica. Section E, Structure reports online |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
11600788 | 20011001 | Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.01024758 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.01024758 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 113 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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