Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Triphenylphosphine dibromide
DIBROMOTRIPHENYLPHOSPHORANE · Triphenyldibromophosphorane · SKL183 · phosphine dibromide · dibromo(triphenyl)- · dibromotriphenyl-phosphoran · DIBROMO TRIPHENYL PHOSPHINE · TRIPHENYLPHOSPHINE DIBROMIDE
식별자 및 물리적 특성
| CAS No. | 1034-39-5 |
|---|---|
| 분자식 | C18H15Br2P |
| 평균 분자량 | 422.1 g/mol |
| 단동위원소 질량 | 419.92781131 g/mol |
| SMILES | BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | OCXGTPDKNBIOTF-UHFFFAOYSA-N |
| PubChem CID | 70579 |
| EC No. | 213-855-1 |
| DTXSID | DTXSID3061423 |
화학 및 물리적 성질
| XLogP | 6.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 285 |
| 녹는점 | 235 °C (dec.) (lit.) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 결정성 분말 |
| 색상 | 연한 노란색에서 연한 분홍색까지 |
| 용해도 | Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble in aqueous bromine. |
| BRN | 917652 |
| InChI | InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H |
| InChIKey | OCXGTPDKNBIOTF-UHFFFAOYSA-N |
| SMILES | P(Br)(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| EPA | Phosphorane, dibromotriphenyl- (1034-39-5) |
화학적 성질
light yellow to light pink crystalline powder
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Phosphorane, dibromotriphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29319019 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 3-10-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
Triphenylphosphine dibromide is used as a reagent for conversion of aldoximes into nitriles. It acts as a reagent for cleavage of acetals. It reacts with amines to give iminophosphoranes. Further, it serves as a reagent in the preparation of alkyl and aryl bromides from alcohols and phenols without rearrangement.