4-Nitrophthalonitrile (CAS 31643-49-9) — formula C8H3N3O2, molecular weight 173.02 g/mol; category pharmaceutical intermediates and APIs.
| CAS Number | 31643-49-9 |
|---|---|
| Molecular Formula | C8H3N3O2 |
| Molecular Weight | 173.02 g/mol |
| LogP | 1.2 |
| Category | Pharmaceutical Raw Materials |
4-Nitrophthalonitrile is a pharmaceutical intermediate or API compound with CAS registry number 31643-49-9 and molecular formula C8H3N3O2 (molecular weight 173.02 g/mol), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 31643-49-9
Its molecular formula C8H3N3O2 comprises 8 C, 3 H, 3 N, 2 O atoms.
Also known as: 4-Nitrophthalonitrile · 4-硝基邻苯二甲腈
Category: pharmaceutical intermediates and APIs
The CAS registry number of 4-Nitrophthalonitrile is 31643-49-9.
Molecular formula C8H3N3O2, molecular weight 173.02 g/mol.
It is also registered under: 4-Nitrophthalonitrile, 4-硝基邻苯二甲腈.
Category: Pharmaceutical Raw Materials.
Independent reference data for 4-Nitrophthalonitrile (CAS 31643-49-9), compiled from public chemistry databases.
| CAS 号 | 31643-49-9 |
|---|---|
| PubChem CID | 97443 |
| 分子式 | C8H3N3O2 |
| 分子量 | 173.02 g/mol |
| IUPAC 名称 | 4-nitrobenzene-1,2-dicarbonitrile |
| InChIKey | NTZMSBAAHBICLE-UHFFFAOYSA-N |
| Molecular Weight | 173.13 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.022526347 |
| Monoisotopic Mass | 173.022526347 |
| Topological Polar Surface Area | 93.4 |
| Heavy Atom Count | 13 |
4-Nitrophthalonitrile; 31643-49-9; 4-nitrobenzene-1,2-dicarbonitrile; 5-Nitrobenzene-1,2-dicarbonitrile; 4-Nitro-1,2-benzenedicarbonitrile; 3,4-Dicyanonitrobenzene; 1,2-Benzenedicarbonitrile, 4-nitro-; Phthalonitrile, 4-nitro-; 5-Nitro-1,2-benzenedicarbonitrile; NSC 123374; EINECS 250-748-9; DTXSID4067642; EC 250-748-9; RefChem:411090; DTXCID1038400; 250-748-9
| 已通报的危害声明 | H302 (100%), H315 (91.7%), H319 (97.9%), H335 (89.6%) |
|---|
4-硝基邻苯二甲腈 的 CAS 号为 31643-49-9，分子式 C8H3N3O2，分子量 173.02 g/mol。 InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-硝基邻苯二甲腈