3-Chloro-1,2-benzisothiazole (CAS 7716-66-7) — formula C7H4ClNS, molecular weight 169.63; category organic chemicals.
3-Chloro-1,2-benzisothiazole is a carbon-based organic compound with CAS registry number 7716-66-7 and molecular formula C7H4ClNS (molecular weight 169.63), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7716-66-7
Its molecular formula C7H4ClNS comprises 7 C, 4 H, 1 Cl, 1 N, 1 S atoms.
Also known as: 3-Chloro-1,2-benzisothiazole
Category: organic chemicals
The CAS registry number of 3-Chloro-1,2-benzisothiazole is 7716-66-7.
Molecular formula C7H4ClNS, molecular weight 169.63.
It is also registered under: 3-Chloro-1,2-benzisothiazole.
Category: Organic Chemicals.
Public-database records for 3-Chloro-1,2-benzisothiazole (CAS 7716-66-7), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (85.7%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 7716-66-7 |
|---|---|
| PubChem CID | 598190 |
| 分子式 | C7H4ClNS |
| IUPAC 名称 | 3-chloro-1,2-benzothiazole |
| UNII（FDA） | 7QAF6LPY33 |
3-Chloro-1,2-benzisothiazole; 7716-66-7; 1,2-Benzisothiazole, 3-chloro-; DTXSID20344599; RefChem:93359; DTXCID80295674; 616-440-7; BCPVKLRBQLRWDQ-UHFFFAOYSA-N; 3-chlorobenzo[d]isothiazole; 3-chloro-1,2-benzothiazole; 3-CHLOROBENZISOTHIAZOLE; MFCD00673254; 3-Chloro-benzo[d]isothiazole; Lurasidone Impurity 63; 3-Chlorobenzo[d]isothia-zole; 3-Chloro-1,2-benzoisothiazole
| 分子量 | 169.63 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 168.9752980 |
| 单同位素质量 | 168.9752980 |
| 拓扑极性表面积 | 41.1 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
3-Chloro-1,2-benzisothiazole · CAS 7716-66-7 · C7H4ClNS. UNII 7QAF6LPY33.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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