테트라뷰틸포스포니움 브롬화물
테트라부틸포스포니움브롬화물 · 테트라뷰틸포스포니움브롬화물 · tetrabutylphosphonium · TETRA-N-BUTYLPHOSPHONIUM BROMIDE · px4b · P4,4,4,4Br · HISHICOLIN PX-4B · 1-(3-methoxypropoxy)butane
식별자 및 물리적 특성
| CAS No. | 3115-68-2 |
|---|---|
| 분자식 | C16H36BrP |
| 평균 분자량 | 339.33 g/mol |
| 단동위원소 질량 | 338.17379988 g/mol |
| SMILES | CCCC[P+](CCCC)(CCCC)CCCC.[Br-] |
| InChIKey | RKHXQBLJXBGEKF-UHFFFAOYSA-M |
| PubChem CID | 76564 |
| ChEMBL | CHEMBL3185844 |
| EC No. | 221-487-8 |
| DTXSID | DTXSID6047945 |
| 현지명 | 테트라뷰틸포스포니움 브롬화물 |
화학 및 물리적 성질
| 극성 표면적 | 0 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 116 |
| Physical Description | Liquid |
| 녹는점 | 100-103 °C(lit.) |
| 밀도 | 1.8[at 20℃] |
| 증기압 | 0.018Pa at 25℃ |
| 인화점 | 290 °C |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 수정 같은 |
| 색상 | 하얀색 |
| 용해도 | 약 70g/100mL |
| BRN | 4160474 |
| 안정성 | 흡습성 |
| InChI | 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H31H/q+1/p-1 |
| InChIKey | JRMUNVKIHCOMHV-UHFFFAOYSA-M |
| SMILES | [Br-].CCCC[P+](CCCC)(CCCC)CCCC |
| LogP(분배 계수) | -0.44 at 23℃ |
| NIST | Phosphonium bromide, tetrabutyl(3115-68-2) |
| EPA | Phosphonium, tetrabutyl-, bromide (3115-68-2) |
화학적 성질
Tetrabutylphosphonium bromide is WHITE TO CREAM CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Phosphonium, tetrabutyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrabutyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18995Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%)Skin corrosion/irritation - Category 2Skin sensitization - Category 1B |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TA2417000 |
| 운송 번호(UN) | UN 3464 6.1/PG 3 |
| 독성 | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131, |
| 관세 코드 | 29310095 |
| 위험 문구(R) | 21/22-36/37/38-24-20/21/22 |
| 위험 표시 | Xn,T,Xi |
| 안전 문구(S) | 26-37/39-45-36/37/39-28A-36 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Met. Corr. 1Repr. 2Skin Sens. 1B |
| 기존화학 물질 | KE-33276 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.To prepare ionic semiclathrate hydrates.