N-Chlorosaccharin - CAS 14070-51-0
Catalog: |
BB009105 |
Product Name: |
N-Chlorosaccharin |
CAS: |
14070-51-0 |
Synonyms: |
2-chloro-1,1-dioxo-1,2-benzothiazol-3-one |
IUPAC Name: | 2-chloro-1,1-dioxo-1,2-benzothiazol-3-one |
Description: | N-Chlorosaccharin (CAS# 14070-51-0) is a useful research chemical. |
Molecular Weight: | 217.63 |
Molecular Formula: | C7H4ClNO3S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Cl |
InChI: | InChI=1S/C7H4ClNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H |
InChI Key: | VKWMGUNWDFIWNW-UHFFFAOYSA-N |
Boiling Point: | 388.6 °C at 760 mmHg |
Density: | 1.77 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00274277 |
LogP: | 2.00360 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
12943415 | 20030904 | Ritter-type reactions of N-chlorosaccharin: a method for the electrophilic diamination of alkenes | Organic letters |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.9600419 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.9600419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Related Functional Groups
Oxazole/Thiazole
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