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Phenacyl thiocyanate · CAS 5399-30-4 · C9H7NOS. UNII HMS1434H09.
| CAS Registry Number | 5399-30-4 |
|---|---|
| PubChem CID | 219693 |
| Molecular formula | C9H7NOS |
| IUPAC name | phenacyl thiocyanate |
| UNII (FDA) | HMS1434H09 |
| Molecular Weight | 177.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.02483502 |
| Monoisotopic Mass | 177.02483502 |
| Topological Polar Surface Area | 66.2 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Phenacyl thiocyanate; DTXSID70277242; RefChem:172579; DTXCID60228400; 633-387-5; DLLVIJACDVJDIP-UHFFFAOYSA-N; 5399-30-4; 2-Oxo-2-phenylethyl thiocyanate; 1-Phenyl-2-thiocyanato-ethanone; 2-(cyanosulfanyl)-1-phenylethan-1-one; 1-phenyl-2-thiocyanatoethanone; MFCD00019769; (2-oxo-2-phenylethyl)thiocarbonitrile; PHENACYLTHIOCYANATE; Thiocyanato-acetophenone; Thiocyanic acid,2-oxo-2-phenylethyl ester
CAS 5399-30-4; molecular formula C9H7NOS; molecular weight — g/mol.
Phenacyl thiocyanate, DTXSID70277242, RefChem:172579, DTXCID60228400, 633-387-5, DLLVIJACDVJDIP-UHFFFAOYSA-N.
Hazard statements reported: H302, H312, H315, H319, H332.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.