6-Nitro-2-benzothiazolinone - CAS 28620-12-4
Catalog: |
BB019894 |
Product Name: |
6-Nitro-2-benzothiazolinone |
CAS: |
28620-12-4 |
Synonyms: |
6-nitro-3H-1,3-benzothiazol-2-one |
IUPAC Name: | 6-nitro-3H-1,3-benzothiazol-2-one |
Description: | 6-Nitro-2-benzothiazolinone (CAS# 28620-12-4) is a useful research chemical. |
Molecular Weight: | 196.18 |
Molecular Formula: | C7H4N2O3S |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])SC(=O)N2 |
InChI: | InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10) |
InChI Key: | QITPMSSAFSZYOP-UHFFFAOYSA-N |
Boiling Point: | 468.1 °C at 760 mmHg |
Melting Point: | 246 °C (dec.) |
Purity: | 95 % |
Density: | 1.603 g/cm3 |
Appearance: | White to tan powder |
MDL: | MFCD00239350 |
LogP: | 2.02100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
EP-3901139-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
AU-2016255434-B2 | Azabenzimidazoles and their use as AMPA receptor modulators | 20150429 |
CA-2983826-A1 | Azabenzimidazoles and their use as ampa receptor modulators | 20150429 |
EP-3288940-A1 | Azabenzimidazoles and their use as ampa receptor modulators | 20150429 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.99426317 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.99426317 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Thiazolines/Thiazolidines
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