메틸트리페닐포스포늄브로마이드
메틸트리페닐포스포늄브로마이드 · 트리페닐메틸포스포늄브롬화물 · 트리페닐메틸포스포늄브롬화물(TRIPHENYLMETHYLPHOSPHONIUMBROMIDE) · MePPh3Br · MTPPB · TRIPHENYLMETHYLPHOSPHONIUM BROMIDE · Methyltriphenylphosphanium bromide · Methyltriphenylphosphine bromide
식별자 및 물리적 특성
| CAS No. | 1779-49-3 |
|---|---|
| 분자식 | C19H18P.Br |
| 평균 분자량 | 357.2 g/mol |
| 단동위원소 질량 | 356.03294931 g/mol |
| SMILES | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-] |
| InChIKey | LSEFCHWGJNHZNT-UHFFFAOYSA-M |
| PubChem CID | 74505 |
| ChEMBL | CHEMBL54469 |
| EC No. | 217-218-9 |
| DTXSID | DTXSID30883580 |
| 현지명 | 메틸트리페닐포스포늄브로마이드 |
화학 및 물리적 성질
| 극성 표면적 | 0 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 235 |
| 물질 분류 | Other Classes -> Phosphorus Compounds |
| Physical Description | White hygroscopic powder[Acros Organics MSDS] |
| 녹는점 | 230-234 °C (lit.) |
| 증기압 | 0.0000002 hPa |
| 인화점 | >240°C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | H2O: 0.1 g/mL, 투명 |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| pH | 6.0-6.5 (400g/l, H2O, 20℃) |
| 용해도 | 400g/L(25℃) |
| BRN | 3599467 |
| InChI | 1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H31H/q+1/p-1 |
| InChIKey | LSEFCHWGJNHZNT-UHFFFAOYSA-M |
| SMILES | [Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 |
| LogP(분배 계수) | -1.18 |
| NIST | Methyltriphenylphosphonium bromide(1779-49-3) |
| EPA | Phosphonium, methyltriphenyl-, bromide (1779-49-3) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 7.7% (6 of 78) of reports.DangerH300 (21.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phosphonium, methyltriphenyl-, bromideStatus: Active Update: 16-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6999Phosphonium, methyltriphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritantHarmful by ingestion and skin absorption[Acros Organics MSDS] See Triphenylphosphine oxide and Triphenylphosphine. |
| Hazard Classes and Categories | Acute Tox. 2 (21.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1390 4.3/PG 2 |
| 독성 | LD50 orally in Rabbit: 118 mg/kg |
| 관세 코드 | 29310095 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37-36-26 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 OralAquatic Chronic 2 |
| 기존화학 물질 | KE-25395 |
| 자연 발화 온도 | 410 °C |
| 저장 분류 | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
용도
용도
Wittig 반응에 널리 사용됩니다.
용도
Methyltriphenylphosphonium Bromide is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.
일반 설명
Methyltriphenylphosphoniumbromide is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis.Mettler-Toledo calibration substance ME 30130598, methyltriphenylphosphoniumbromide is ideal for use in the regular calibration of Mettler-Toledo melting point instrument. Its value is a mean of 6 to 12 iterations with a Mettler-Toledo MP70 Excellence instrument that is calibrated against primary standards. The melting point is validated by Capillary method according to European Pharmacopeia (2.2.14.)