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HCID 13097생성일: 2026년 10월 27일

트리페닐포스핀 옥사이드

트라이페닐포스파인옥사이드 · 산화트라이페닐포스핀 · 트리페닐포스핀옥사이드 · 트라이페닐포스파인 옥사이드 · 다이(페닐)포스포릴벤젠 · 트라이페닐인 옥사이드 · 트라이페닐포스핀 모노옥사이드 · 트라이페닐포스핀 산화물

https://huagongshe.com/ko/chemical/13097

식별자 및 물리적 특성

CAS No.	791-28-6
분자식	C18H15OP
평균 분자량	278.3 g/mol
단동위원소 질량	278.0860521 g/mol
SMILES	O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey	FIQMHBFVRAXMOP-UHFFFAOYSA-N
PubChem CID	13097
ChEMBL	CHEMBL482091
ChEBI	CHEBI:36601
EC No.	212-338-8
DTXSID	DTXSID2022121
현지명	트리페닐포스핀 옥사이드

화학 및 물리적 성질

XLogP	2.8
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	20
형식 전하	0
복잡도	281
Physical Description	Solid[IUCLID] Beige crystalline solid[Aldrich MSDS]
Kovats Retention Index	25612576
Collision Cross Section	162.9 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2022121]163.0 Å² [M+H]+ [CCS Type: DTIonization: APCI+182.6 Å² [M+Na]+ [CCS Type: DT
녹는점	150-157 °C(lit.)
끓는 점	360 °C
밀도	1,212 g/cm3
증기압	<1 hPa (50 °C)
인화점	180 °C
저장 조건	Store below +30°C.
용해도	메탄올: 25mg/mL, 투명
물리적 상태	결정질 분말 또는 플레이크
비중	1.212
색상	흰색에서 분홍색 갈색
용해도	약간 용해됨
BRN	745854
헨리 상수	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(분배 계수)	2.8
NIST	(C6H5)3PO(791-28-6)
EPA	Triphenylphosphine oxide (791-28-6)

화학적 성질

White solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.WarningH302 (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 exposureRespiratory 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.
규제 정보	Chemical: Phosphine oxide, triphenyl-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	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 irritantHarmful by ingestionTargets nerves[Aldrich MSDS] See Triphenylphosphine.

용도

개요

Triphenylphosphine 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.

용도

Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions

트리페닐포스핀 옥사이드

CAS No.

791-28-6

분자식

C18H15OP

평균 분자량

278.3 g/mol

단동위원소 질량

278.0860521 g/mol

SMILES

O=P(c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

FIQMHBFVRAXMOP-UHFFFAOYSA-N

PubChem CID

13097

ChEMBL

CHEMBL482091

ChEBI

CHEBI:36601

EC No.

212-338-8

DTXSID

DTXSID2022121

현지명

트리페닐포스핀 옥사이드

화학 및 물리적 성질

XLogP

2.8

극성 표면적

17.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

281

Physical Description

Solid[IUCLID] Beige crystalline solid[Aldrich MSDS]

Kovats Retention Index

25612576

Collision Cross Section

162.9 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2022121]163.0 Å² [M+H]+ [CCS Type: DTIonization: APCI+182.6 Å² [M+Na]+ [CCS Type: DT

녹는점

150-157 °C(lit.)

끓는 점

360 °C

밀도

1,212 g/cm3

증기압

<1 hPa (50 °C)

인화점

180 °C

저장 조건

Store below +30°C.

용해도

메탄올: 25mg/mL, 투명

물리적 상태

결정질 분말 또는 플레이크

비중

1.212

색상

흰색에서 분홍색 갈색

용해도

약간 용해됨

BRN

745854

헨리 상수

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(분배 계수)

2.8

NIST

(C6H5)3PO(791-28-6)

EPA

Triphenylphosphine oxide (791-28-6)

화학적 성질

White solid

안전 및 규제

GHS 분류

This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.WarningH302 (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 exposureRespiratory 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.

규제 정보

Chemical: Phosphine oxide, triphenyl-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard

유해성 요약

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 irritantHarmful by ingestionTargets nerves[Aldrich MSDS] See Triphenylphosphine.

용도

개요

용도

Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions