5-Cyanophthalide (CAS 82104-74-3) — formula C9H5NO2, molecular weight 159.14; category organic chemicals.
| CAS Number | 82104-74-3 |
|---|---|
| Molecular Formula | C9H5NO2 |
| Molecular Weight | 159.14 |
| LogP | 0.5 |
| Category | Organic Chemicals |
5-Cyanophthalide is a carbon-based organic compound with CAS registry number 82104-74-3 and molecular formula C9H5NO2 (molecular weight 159.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82104-74-3
Its molecular formula C9H5NO2 comprises 9 C, 5 H, 1 N, 2 O atoms.
Also known as: 5-Cyanophthalide · 5-氰基苯酞
Category: organic chemicals
The CAS registry number of 5-Cyanophthalide is 82104-74-3.
Molecular formula C9H5NO2, molecular weight 159.14.
It is also registered under: 5-Cyanophthalide, 5-氰基苯酞.
Category: Organic Chemicals.
Independent reference data for 5-Cyanophthalide (CAS 82104-74-3), compiled from public chemistry databases.
| CAS Registry Number | 82104-74-3 |
|---|---|
| PubChem CID | 821218 |
| Molecular formula | C9H5NO2 |
| IUPAC name | 1-oxo-3H-2-benzofuran-5-carbonitrile |
| UNII (FDA) | B8XZJ4L2MB |
| Molecular Weight | 159.14 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 159.032028402 |
| Monoisotopic Mass | 159.032028402 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 12 |
5-Cyanophthalide; 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile; EINECS 279-900-2; EC 279-900-2; RefChem:414434; 279-900-2; 82104-74-3; 1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile; 1-oxo-3H-2-benzofuran-5-carbonitrile; 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-; 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile; MFCD01072882; 5-Cyanophthalide, 97%; AKOS015836116; AC-5340; EN300-396646
| GHS notification summary | 4.7% (2 / 43) |
|---|
| GHS notification summary | 4.7% (2 / 43) |
|---|---|
| Reported hazard statements | H302 (95.3%), H312 (95.3%), H332 (95.3%) |
This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
5-Cyanophthalide · CAS 82104-74-3 · C9H5NO2. UNII B8XZJ4L2MB.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-氰基苯酞