1,3-Dihydro-2,1-benzothiazole 2,2-dioxide - CAS 111248-89-6
Catalog: |
BB053619 |
Product Name: |
1,3-Dihydro-2,1-benzothiazole 2,2-dioxide |
CAS: |
111248-89-6 |
Synonyms: |
1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide |
IUPAC Name: | 1,3-dihydro-2,1-benzothiazole 2,2-dioxide |
Molecular Weight: | 169.20 |
Molecular Formula: | C7H7NO2S |
Canonical SMILES: | C1C2=CC=CC=C2NS1(=O)=O |
InChI: | InChI=1S/C7H7NO2S/c9-11(10)5-6-3-1-2-4-7(6)8-11/h1-4,8H,5H2 |
InChI Key: | OJWMDOIYUCEXNF-UHFFFAOYSA-N |
Boiling Point: | 311.3±45.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Appearance: | Solid |
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 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.01974964 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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