Triphenylphosphine Oxide 分子结构式
HCID13097

Triphenylphosphine Oxide

diphenylphosphorylbenzene

C18H15OP278.3 g/molCAS 791-28-6

IDENTITY

结构与身份

标准SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N
分子式
C18H15OP
平均分子量
278.3 g/mol
单同位素质量
278.0860521

COMPUTED

结构计算性质

已同步
XLogP
2.8
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
3
重原子
20
形式电荷
0
复杂度
281

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Solid; [IUCLID] Beige crystalline solid; [Aldrich MSDS]

Kovats Retention Index

2561;2576

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]

GHS

GHS分类

来源:PubChem
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.

HAZARDS

危害信息

来源:PubChem
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

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Neurotoxin - 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

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

REGULATORY

法规信息

来源:PubChem
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

USES

用途与制造

来源:PubChem
Uses

Used for processing (extraction, separation, and spectrophotometric determination) environmental samples of cadmium and mercury; [ChemIDplus]

General Manufacturing Information

Phosphine oxide, triphenyl-: ACTIVE

ALIASES

名称与别名

共 85 条
TRIPHENYLPHOSPHINE OXIDE791-28-6Phosphine oxide, triphenyl-Triphenyl phosphine oxideTriphenyl phosphorus oxideDTXSID2022121TRIPHENYLPHOSPHINE MONOXIDEZ69161FKI3phosphorane, triphenyl-, oxideDTXCID402121NSC-398RefChem:191910212-338-8triphenylphosphane oxidediphenylphosphorylbenzeneTriphenylphosphineoxide(diphenylphosphoroso)benzeneTPPOPH3PONSC 398

REACTIONS

参与反应

457
HRID 4116 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04723002

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HRID 4821 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04727152

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HRID 8216 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087626B2

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HRID 24018 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855722B2

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HRID 34889 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764310

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HRID 60785 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2

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HRID 60812 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2

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HRID 79336 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841455B2

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