4-PHENOXYPHENYL ISOTHIOCYANATE (CAS 3529-87-1) — formula C13H9NOS, molecular weight 227.28; category organic chemicals.
| CAS Number | 3529-87-1 |
|---|---|
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.28 |
| LogP | 4.75 |
| Category | Organic Chemicals |
4-PHENOXYPHENYL ISOTHIOCYANATE is a carbon-based organic compound with CAS registry number 3529-87-1 and molecular formula C13H9NOS (molecular weight 227.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3529-87-1
Its molecular formula C13H9NOS comprises 13 C, 9 H, 1 N, 1 O, 1 S atoms.
Also known as: 4-PHENOXYPHENYL ISOTHIOCYANATE · 4-苯氧基苯基异硫氰酸酯
Category: organic chemicals
The CAS registry number of 4-PHENOXYPHENYL ISOTHIOCYANATE is 3529-87-1.
Molecular formula C13H9NOS, molecular weight 227.28.
It is also registered under: 4-PHENOXYPHENYL ISOTHIOCYANATE, 4-苯氧基苯基异硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 4-PHENOXYPHENYL ISOTHIOCYANATE (CAS 3529-87-1), compiled from public chemistry databases.
| CAS 号 | 3529-87-1 |
|---|---|
| PubChem CID | 145694 |
| 分子式 | C13H9NOS |
| IUPAC 名称 | 1-isothiocyanato-4-phenoxybenzene |
| UNII（FDA） | HMS1784P13 |
| Molecular Weight | 227.28 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 227.04048508 |
| Monoisotopic Mass | 227.04048508 |
| Topological Polar Surface Area | 53.7 |
| Heavy Atom Count | 16 |
| LogP | 4.75 |
|---|
1-Isothiocyanato-4-phenoxybenzene; Benzene, 1-isothiocyanato-4-phenoxy-; 4-Isothiocyanato-diphenyl ether; 4-Isothiocyanate diphenyl ether; DTXSID50188781; RefChem:76138; DTXCID10111272; 671-331-1; InChI=1/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9; 3529-87-1; 4-Phenoxyphenyl isothiocyanate; 4-phenoxyphenylisothiocyanate; 4-(Phenoxy)phenyl isothiocyanate; MFCD00060376; 1-isothiocyanato-4-phenoxy-benzene; SALOR-INT L308293-1EA
| 已通报的危害声明 | H302 (66.7%), H312 (33.3%), H314 (33.3%), H315 (33.3%), H317 (66.7%), H319 (33.3%), H331 (33.3%), H334 (33.3%) |
|---|
4-苯氧基苯基异硫氰酸酯 · CAS 3529-87-1 · C13H9NOS. UNII HMS1784P13. LogP: 4.75.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-苯氧基苯基异硫氰酸酯