피로인산트리스(테트라부틸암모늄)염
피로인산트리스(테트라부틸암모늄)염 · PYROPHOSPHORIC ACID TRIS(TETRABUTYLAMMONIUM) SALT · tris(tetrabutylazanium) · TETRABUTYLAMMONIUM PYROPHOSPHATE (3:1) · Tris(tetra-N-butylammonium)diphosphate · Tris(tetrabutylammonium) pyrophosphate · Tetrabutylammonium Hydrogendiphosphate · Tri (tetrabutylammonium) hydrogen pyrophosphate
식별자 및 물리적 특성
| CAS No. | 76947-02-9 |
|---|---|
| 분자식 | C48H109N3O7P2 |
| 평균 분자량 | 902.3 g/mol |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])O |
| InChIKey | BMTUFQKYWWLCLC-UHFFFAOYSA-K |
| PubChem CID | 11115639 |
| EC No. | 629-331-4 |
| 현지명 | 피로인산트리스(테트라부틸암모늄)염 |
화학 및 물리적 성질
| 극성 표면적 | 133 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 37 |
| 무거운 원자 수 | 60 |
| 형식 전하 | 0 |
| 복잡도 | 270 |
| 녹는점 | 145 - 148°C |
| 저장 조건 | 2-8°C |
| 용해도 | 메탄올(약간 용해됨), 물(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 밝은 노란색 |
| BRN | 4632762 |
| 안정성 | 흡습성 |
| InChI | InChI=1S/C16H36N.H4O7P2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-41-8(2,3)7-9(4,5)6/h5-16H2,1-4H3(H2,1,2,3)(H2,4,5,6)/q+1/p-3 |
| InChIKey | BMTUFQKYWWLCLC-UHFFFAOYSA-K |
| SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.O(P(O)([O-])=O)P([O-])([O-])=O |
화학적 성질
White Crystalline Powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26 |
| F 고인화성물질 | 3-10 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters
용도
Phosphorylating reagent.
일반 설명
Tris(tetrabutylammonium) hydrogen pyrophosphate is a triphosphate that is used as a nucleophile in organic synthesis. It reacts with isopropyl alcohol to form the corresponding cyclic adducts, which can be isolated as the corresponding acetonitrile salts. Tris(tetrabutylammonium) hydrogen pyrophosphate is also used as an intermediate for the synthesis of other molecules, such as geranyl, and provides a predictable means of synthesizing isotopomers of these molecules. This molecule may be prepared by reacting ammonium bicarbonate with chloride and then adding isopropyl alcohol to the mixture.