기본 정보
- 표준 SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N- 분자식
- C18H15OP
- 평균 분자량
- 278.3 g/mol
- 단동위원소 질량
- 278.0860521
이름 및 식별자
- 우선 이름
- Triphenylphosphine Oxide
- IUPAC
- diphenylphosphorylbenzene
- 현지명
- 트리페닐포스핀 옥사이드
- 영어명
- Triphenylphosphine oxide
- 분자식
- C18H15OP
- 분자량
- 278.28
이름 및 동의어
이름 더 보기
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
Collision Cross Section
162.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121];163.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121];182.6 Ų [M+Na]+ [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
- 색상
- 흰색에서 분홍색 갈색
- 수용성
- 약간 용해됨
- BRN
- 745854 · 745854
- Henry's Law Constant
- 1.9 · 1.9×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 주요 응용
- 제약
- InChI
- 1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChIKey
- FIQMHBFVRAXMOP-UHFFFAOYSA-N
- SMILES
- O=P(c1ccccc1)(c2ccccc2)c3ccccc3
- LogP
- 2.8 · 2.8
- NIST
- (C6H5)3PO(791-28-6)
- EPA
- Triphenylphosphine oxide (791-28-6)
화학적 성질
White solid
안전 및 규제
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];H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (96.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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.;Reported as not meeting GHS hazard criteria per 5 of 245 reports by companies.;There are 11 notifications provided by 240 of 245 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368;Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507
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%);Skin Irrit. 2 (18%);Eye Irrit. 2 (18.4%);STOT SE 3 (18%);Aquatic Chronic 3 (96.3%)
Acute toxicity (Oral) - Category 4;Specific target organ toxicity - Single exposure - Category 2 (central nervous system);Specific target organ toxicity - Repeated exposure - Category 2 (liver);Hazardous to the aquatic environment (Acute) - Category 3;Hazardous to the aquatic environment (Long-term) - Category 3
독성 정보
RAIS Toxicity Values
0.02
PPRTV Current
0.02
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Triphenylphosphine Oxide
2 x 10^-2 mg/kg-day
2 x 10^-2 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2007
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
1.30e+03
1.60e+04
3.60e+02
5.00e+01
1.50e+00
2.00e-02
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
3.80e+03
4.90e+04
1.10e+03
5.00e+01
2.00e-02
Volatile
규제 정보
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368;Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507
Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SZ1676000
- ridadr
- 3077
- 독성
- LD50 orally in Rabbit: 685 mg/kg
- HS 번호
- 29310095
- risk_code
- 22-36/37/38-52/53
- hazard_code
- Xn,Xi
- safety_code
- 26-61-36
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- KE-34741
- 자연 발화 온도
- 590 °C
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A phosphine oxide in which the substituents on phosphorus are three phenyl groups.
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