4-Isothiocyanatophenetol (CAS 3460-49-9) — formula C9H9NOS, molecular weight 179.24; category organic chemicals.
| CAS Number | 3460-49-9 |
|---|---|
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.24 |
| LogP | 3.9 |
| Category | Organic Chemicals |
4-Isothiocyanatophenetol is a carbon-based organic compound with CAS registry number 3460-49-9 and molecular formula C9H9NOS (molecular weight 179.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3460-49-9
Its molecular formula C9H9NOS comprises 9 C, 9 H, 1 N, 1 O, 1 S atoms.
Also known as: 4-Isothiocyanatophenetol · 4-异硫氰酸苯乙醚
Category: organic chemicals
The CAS registry number of 4-Isothiocyanatophenetol is 3460-49-9.
Molecular formula C9H9NOS, molecular weight 179.24.
It is also registered under: 4-Isothiocyanatophenetol, 4-异硫氰酸苯乙醚.
Category: Organic Chemicals.
Independent reference data for 4-Isothiocyanatophenetol (CAS 3460-49-9), compiled from public chemistry databases.
| CAS Registry Number | 3460-49-9 |
|---|---|
| PubChem CID | 77006 |
| Molecular formula | C9H9NOS |
| IUPAC name | 1-ethoxy-4-isothiocyanatobenzene |
| UNII (FDA) | 9PC292B9MT |
| Molecular Weight | 179.24 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.04048508 |
| Monoisotopic Mass | 179.04048508 |
| Topological Polar Surface Area | 53.7 |
| Heavy Atom Count | 12 |
1-Ethoxy-4-isothiocyanatobenzene; p-Ethoxyphenyl isothiocyanate; Benzene, 1-ethoxy-4-isothiocyanato-; EINECS 222-410-0; DTXSID00188175; NSC 108217; RefChem:858065; DTXCID30110666; 222-410-0; InChI=1/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H; 4-Ethoxyphenyl isothiocyanate; 3460-49-9; 4-ETHOXYPHENylisoTHIOCYANATE; 1-ethoxy-4-isothiocyanato-benzene; MFCD00041096; 4-Isothiocyanatophenetole
| Reported hazard statements | H301 (37.5%), H302 (62.5%), H311 (37.5%), H312 (62.5%), H314 (87.5%), H331 (37.5%), H332 (62.5%) |
|---|
H301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
4-Isothiocyanatophenetol · CAS 3460-49-9 · C9H9NOS. UNII 9PC292B9MT.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-异硫氰酸苯乙醚