化工社化工社 化学情報印刷レポート · 研究参考用
ブチルホスホン酸ジブチル
ブチルホスホン酸ジブチル · ジブチルブタンホスホネート · ジブチルブチルホスホナート · ジブトキシブチルホスフィンオキシド · ジブチル ブチルホスホナート · DBBP · tc44 · nsc2666
識別子と物理属性
| CAS No. | 78-46-6 |
|---|---|
| 分子式 | C12H27O3P |
| 平均分子量 | 250.31 g/mol |
| 単同位体質量 | 250.16978135 g/mol |
| SMILES | CCCCOP(=O)(CCCC)OCCCC |
| InChIKey | JPGXOMADPRULAC-UHFFFAOYSA-N |
| PubChem CID | 6539 |
| EC No. | 201-119-2 |
| DTXSID | DTXSID6052536 |
| 現地名 | ブチルホスホン酸ジブチル |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 35.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 11 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 181 |
| 物質分類 | Other Classes -> Organophosphates, Other |
| SpringerMaterials Properties | Chemical shift |
| 臭い | MILD |
| 密度 | 0.948 @ 20 °C/4 °C0.948 @ 20°C0.946 g/mL at 25 °C(lit.) |
| Color/Form | COLORLESS LIQ |
| 溶解度 | INSOL IN WATERMISCIBLE WITH MOST COMMON ORG SOLVENTS0.5g/L(25℃) |
| 引火点 | 310 °F OC>230 °F |
| 沸点 | 127-128 °C @ 2.5 MM HG283 °C(lit.) |
| Decomposition | WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF OXIDES OF PHOSPHORUS... |
| 蒸気密度 | 8.62 |
| Physical Description | Colorless liquid[HSDB] |
| Stability/Shelf Life | STABLE |
| 屈折率 | n20/D 1.432(lit.) |
| BRN | 1777999 |
| InChI | InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3 |
| InChIKey | JPGXOMADPRULAC-UHFFFAOYSA-N |
| SMILES | P(CCCC)(=O)(OCCCC)OCCCC |
| 表面張力 | 27.4mN/m at 298.15K |
| CAS データベース | 78-46-6 |
| NISTの化学物質情報 | Phosphonic acid, butyl-, dibutyl ester(78-46-6) |
| EPAの化学物質情報 | Phosphonic acid, butyl-, dibutyl ester (78-46-6) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 97.6% (40 of 41) of all reports.Not ClassifiedAggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Phosphonic acid, butyl-, dibutyl esterPhosphonic acid, butyl-, dibutyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 火災の可能性 | COMBUSTIBLE.FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. |
| 有害性の概要 | May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Hazardous Reactivities and Incompatibilities | ...IT CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS. |
| 消火手順 | TO FIGHT FIRE: FOAM, CARBON DIOXIDE, DRY CHEMICAL... |
| 保管条件 | IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. |
| Protective Action Criteria (PAC) | 0.18 [mg/m3]2.0 [mg/m3]12 [mg/m3] |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SZ7000000 |
| 有害物質データ | 78-46-6(Hazardous Substances Data) |
用途
使用
Dibutyl Butylphosphonate is a reagent used in organic synthesis. It is used for uranium extractions as well as in the plasticizing industry.
製法・合成法
純化方法
Purify by three recrystallisations of its compound with uranyl nitrate, from hexane. For method, see tributyl phosphate.