트리페닐포스핀 옥사이드
Triphenylphosphine Oxide
기본 정보
- CAS
791-28-6- 표준 SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N- 분자식
- C18H15OP
- 평균 분자량
- 278.3 g/mol
- 단동위원소 질량
- 278.0860521
개요
Triphenylphosphane oxide is a phosphine oxide in which the substituents on phosphorus are three phenyl groups.
이름 및 식별자
- 우선 이름
- Triphenylphosphine Oxide
- IUPAC
- diphenylphosphorylbenzene
- 현지명
- 트리페닐포스핀 옥사이드
- 영어명
- Triphenylphosphine oxide
- 분자식
- C18H15OP
- 분자량
- 278.28
이름 및 동의어
TRIPHENYLPHOSPHINE OXIDE791-28-6Phosphine oxide, triphenyl-Triphenyl phosphorus oxideTriphenyl phosphine oxideDTXSID2022121TRIPHENYLPHOSPHINE MONOXIDEZ69161FKI3phosphorane, triphenyl-, oxideDTXCID402121NSC-398RefChem:191910
이름 더 보기
트라이페닐포스파인옥사이드산화트라이페닐포스핀트리페닐포스핀옥사이드산화트라이페닐포스핀트라이페닐포스파인 옥사이드다이(페닐)포스포릴벤젠트라이페닐인 옥사이드트라이페닐포스핀 모노옥사이드트라이페닐포스핀 산화물TPOTTPO(C6H5)3P=OOrlistat Related CoMpound CTriphenylphosphinoxidTrisphenylphosphine oxide
212-338-8diphenylphosphorylbenzenetriphenylphosphane oxideTriphenylphosphineoxide(diphenylphosphoroso)benzeneTriphenylphosphanoxidTPPOPH3PO
데이터베이스 식별자
- CAS
791-28-6- PubChem CID
- 13097
- DTXSID
DTXSID2022121- ChEMBL
CHEMBL482091- ChEBI
CHEBI:36601- UNII
- Z69161FKI3
- EC Number
- 212-338-8
- Nikkaji
- J541J
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 281
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Phosphorus Compounds
Industrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.85
Physical DescriptionSolid; [IUCLID] Beige crystalline solid; [Aldrich MSDS]
Collision Cross Section162.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121]
물리화학적 성질
- 녹는점
- 150 · 150-157 °C(lit.)
- 끓는 점
- 360 °C · 360 °C
- 밀도
- 1 · 1,212 g/cm3
- 증기압
- 1 hPa · <1 hPa (50 °C)
- 인화점
- 180 °C · 180 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 25 mg/mL, · 메탄올: 25mg/mL, 투명
- 물리적 상태
- 결정질 분말 또는 플레이크
- Specific Gravity
- 1.212 · 1.212
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.
Warning
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 245 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: Triphenylphosphine oxide (EC: 212-338-8)
Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions, aggression, and dyspnea in oral lethal-dose studies of dogs (LD50 = 500 mg/kg); [RTECS] Causes liver injury in 3-month feeding study of dogs at 2,000 ppm; [IUCLID] An irritant; Harmful by ingestion; Targets nerves; [Aldrich MSDS] See Triphenylphosphine.
Hazard Classes and Categories
Acute Tox. 4 (98%)
Acute toxicity (Oral) - Category 4
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
RAIS Toxicity Values
0.02
PPRTV Current
0.02
PPRTV Current
화학 및 산업
용도 및 제조
UsesUsed for processing (extraction, separation, and spectrophotometric determination) environmental samples of cadmium and mercury; [ChemIDplus]
General Manufacturing InformationPhosphine oxide, triphenyl-: ACTIVE
응용 분야
개요Triphenylphosphine oxide (TPPO) is a coordinating solvent used to activate crystallization of chemical compounds. It has been used in flame retardant applications, as an epoxy cure catalyst, and more recently, to produce nanostructures.
용도Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions
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