3-Chloro-1,2-benzisothiazole - CAS 7716-66-7
Catalog: |
BB070156 |
Product Name: |
3-Chloro-1,2-benzisothiazole |
CAS: |
7716-66-7 |
Synonyms: |
3-Chlorobenzo[d]isothiazole |
IUPAC Name: | 3-chloro-1,2-benzothiazole |
Description: | 3-Chloro-1,2-benzisothiazole (cas# 7716-66-7) is a compound useful in organic synthesis. |
Molecular Weight: | 169.63 |
Molecular Formula: | C7H4ClNS |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NS2)Cl |
InChI: | InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H |
InChI Key: | BCPVKLRBQLRWDQ-UHFFFAOYSA-N |
Melting Point: | 38-40°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid to Low-Melting Solid |
Storage: | -20°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.975298 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.975298 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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