트리페닐포스핀 옥사이드

Triphenylphosphine Oxide

HCID 13097CAS 791-28-6

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

TRIPHENYLPHOSPHINE OXIDE791-28-6Phosphine oxide, triphenyl-Triphenyl phosphine oxideTriphenyl phosphorus oxideDTXSID2022121TRIPHENYLPHOSPHINE MONOXIDEZ69161FKI3phosphorane, triphenyl-, oxideDTXCID402121NSC-398RefChem:191910
이름 더 보기
트라이페닐포스파인옥사이드산화트라이페닐포스핀트리페닐포스핀옥사이드산화트라이페닐포스핀트라이페닐포스파인 옥사이드다이(페닐)포스포릴벤젠트라이페닐인 옥사이드트라이페닐포스핀 모노옥사이드트라이페닐포스핀 산화물TPOTTPO(C6H5)3P=OOrlistat Related CoMpound CTriphenylphosphinoxidTrisphenylphosphine oxide
212-338-8triphenylphosphane oxidediphenylphosphorylbenzeneTriphenylphosphineoxide(diphenylphosphoroso)benzeneTPPOPH3PONSC 398

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

실험 및 물리화학적 성질

Physical DescriptionSolid; [IUCLID] Beige crystalline solid; [Aldrich MSDS]
Kovats Retention Index2561;2576
Collision Cross Section · 1건

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.

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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 · 1건

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 · 2건

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

Adverse EffectsNeurotoxin - Other CNS neurotoxin;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
RAIS Toxicity Values · 4건

0.02

PPRTV Current

0.02

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6건

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 · 6건

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 · 6건

3.80e+03

4.90e+04

1.10e+03

5.00e+01

2.00e-02

Volatile

규제 정보

Regulatory Information · 4건

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

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾特(浙江)供应链管理有限公司15553101207 18615619105

추가 설명

정의ChEBI: A phosphine oxide in which the substituents on phosphorus are three phenyl groups.

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457건

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