0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate (CAS 4151-51-3) — formula C21H12N3O6PS, molecular weight 465.4; category inorganic chemicals.
0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate is an inorganic compound with CAS registry number 4151-51-3 and molecular formula C21H12N3O6PS (molecular weight 465.4), belonging to the inorganic chemicals segment of chemical raw materials.
CAS number: 4151-51-3
Its molecular formula C21H12N3O6PS comprises 21 C, 12 H, 3 N, 6 O, 1 P, 1 S atoms.
Also known as: 0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate · Tris (p-isocyanatophenyl) thiophosphate
Category: inorganic chemicals
The CAS registry number of 0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate is 4151-51-3.
Molecular formula C21H12N3O6PS, molecular weight 465.4.
It is also registered under: 0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate, Tris (p-isocyanatophenyl) thiophosphate.
Category: Inorganic Chemicals.
Public-database records for 0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate (CAS 4151-51-3), reproduced here for independent cross-checking.
| GHS notification summary | 3.6% (8 / 225) |
|---|---|
| Reported hazard statements | H302 (60.4%), H334 (36%) |
This chemical does not meet GHS hazard criteria for 3.6% (8 of 225) of reports.
H302 (60.4%): Harmful if swallowed [Warning Acute toxicity, oral]
| GHS notification summary | 3.6% (8 / 225) |
|---|
| CAS Registry Number | 4151-51-3 |
|---|---|
| PubChem CID | 77798 |
| 分子式 | C21H12N3O6PS |
| IUPAC 名称 | tris(4-isocyanatophenoxy)-sulfanylidene-λ5-phosphane |
| UNII（FDA） | 0G637UP5EY |
Tris(4-isocyanatophenyl) thiophosphate; 4151-51-3; Tris(4-isocyanatophenyl)thiophosphate; Tris(p-isocyanatophenyl) thiophosphate; UNII-0G637UP5EY; TRI(4-PHENYL ISOCYANATE) THIOPHOSPHATE; 0G637UP5EY; EINECS 223-981-9; Phenol, 4-isocyanato-, 1,1',1''-phosphorothioate; DTXSID9063320; EC 223-981-9; TRIS(4-ISOCYANATOPHENYL) PHOSPHOROTHIOATE; thiophosphoric acid tris(p-isocyanatophenyl ester); TRIS(P-ISOCYANATOPHENYL) MONOSULFOPHOSPHATE; PHOSPHOROTHIOIC ACID, O,O,O-TRIS(P-ISOCYANATOPHENYL) ESTER; ISOCYANIC ACID, P-HYDROXYPHENYL ESTER, PHOSPHOROTHIOATE (3:1) (ESTER)
| 分子量 | 465.4 |
|---|---|
| XLogP3 | 9.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 10 |
| 可旋转键数 | 9 |
| 精确质量 | 465.01844328 |
| 单同位素质量 | 465.01844328 |
| 拓扑极性表面积 | 148 |
| 重原子数 | 32 |
| 形式电荷 | 0 |
0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate · CAS 4151-51-3 · C21H12N3O6PS. UNII 0G637UP5EY.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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