3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL (CAS 81613-61-8) — formula C11H6F6O, molecular weight 268.15; category organic chemicals.
3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL is a carbon-based organic compound with CAS registry number 81613-61-8 and molecular formula C11H6F6O (molecular weight 268.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81613-61-8
Its molecular formula C11H6F6O comprises 11 C, 6 H, 6 F, 1 O atoms.
Also known as: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL · 3,5-Bis(trifluoromethyl)phenylpropargyl alcohol
Category: organic chemicals
The CAS registry number of 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL is 81613-61-8.
Molecular formula C11H6F6O, molecular weight 268.15.
It is also registered under: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL, 3,5-Bis(trifluoromethyl)phenylpropargyl alcohol.
Category: Organic Chemicals.
Public-database records for 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL (CAS 81613-61-8), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
| CAS 号 | 81613-61-8 |
|---|---|
| PubChem CID | 2736179 |
| 分子式 | C11H6F6O |
| IUPAC 名称 | 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-ol |
81613-61-8; 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-ol; 3-(3,5-Bis(trifluoromethyl)phenyl)prop-2-yn-1-ol; 3-[3,5-bis(trifluoromethyl)phenyl]-prop-2-yn-1-ol; MFCD00052418; C11H6F6O; SCHEMBL80806; 3,5-bis(trifluoro-methyl) phenyl propargyl alcohol; 3-[3,5-bis(trifluoromethyl)phenyl]-2-propyne-1-ol; DTXSID80371184; AKOS004117829; TS-00875; DB-056544; CS-0359482; 3,5-bis(trifluoromethyl)phenylpropargyl alcohol; 1-(3,5-bistrifluoromethylphenyl)-prop-1-yn-3-ol
| 分子量 | 268.15 |
|---|---|
| XLogP3 | 3.2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 1 |
| 精确质量 | 268.03228378 |
| 单同位素质量 | 268.03228378 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
3-[3,5-双(三氟甲基)苯基]-2-丙炔-1-醇 · CAS 81613-61-8 · C11H6F6O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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