トリフェニルホスフィン オキシド

Triphenylphosphine Oxide

HCID 13097CAS 791-28-6

基本情報

標準SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N
分子式
C18H15OP
平均分子量
278.3 g/mol
単同位体質量
278.0860521

名称と識別子

優先名称
Triphenylphosphine Oxide
IUPAC
diphenylphosphorylbenzene
現地名
トリフェニルホスフィン オキシド
英語名
Triphenylphosphine oxide
分子式
C18H15OP
分子量
278.28

名称と別名

TRIPHENYLPHOSPHINE OXIDE791-28-6Phosphine oxide, triphenyl-Triphenyl phosphine oxideTriphenyl phosphorus oxideDTXSID2022121TRIPHENYLPHOSPHINE MONOXIDEZ69161FKI3phosphorane, triphenyl-, oxideDTXCID402121NSC-398RefChem:191910
名称をさらに表示
トリフェニルホスフィン オキシドトリフェニルホスフィンオキシドトリスフェニルホスフィンオキシドトリフェニルフォスフィンオキシドトリフェニルホスフィンオキサイドトリフェニルホスフィン=オキシドORLISTAT RELATED COMPOUND C (トリフェニルホスフィンオキシド)トリフェニルホスフィンオキシド, 98%(ジフェニルホスホロソ)ベンゼンTPOTTPO(C6H5)3P=OOrlistat Related CoMpound CTriphenylphosphinoxidTrisphenylphosphine oxide
212-338-8triphenylphosphane oxidediphenylphosphorylbenzeneTriphenylphosphineoxide(diphenylphosphoroso)benzeneTPPOPH3PONSC 398

データベース識別子

CAS
791-28-6
PubChem CID
13097
DTXSID
DTXSID2022121
ChEMBL
CHEMBL482091
ChEBI
CHEBI:36601
UNII
Z69161FKI3
EC Number
212-338-8
Nikkaji
J541J

物性

構造計算による物性

XLogP
2.8
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
3
重原子数
20

実験および物理化学的性質

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

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]

物理化学的性質

融点
150 · 150-157 °C(lit.)
沸点
360 °C · 360 °C
比重(密度)
1 · 1,212 g/cm3
蒸気圧
1 hPa · <1 hPa (50 °C)
闪点
180 °C · 180 °C
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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 · 2 件

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

毒性情報

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 · 4 件

0.02

PPRTV Current

0.02

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 件

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 · 6 件

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 · 6 件

3.80e+03

4.90e+04

1.10e+03

5.00e+01

2.00e-02

Volatile

法規制情報

Regulatory Information · 4 件

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

安全データ

wgk
2
tsca
TSCA listed
rtecs
SZ1676000
ridadr
3077
毒性
LD50 orally in Rabbit: 685 mg/kg
hs_code
29310095

化学と産業

用途と製造

UsesUsed for processing (extraction, separation, and spectrophotometric determination) environmental samples of cadmium and mercury; [ChemIDplus]
General Manufacturing InformationPhosphine oxide, triphenyl-: ACTIVE

応用分野

説明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.

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

調製方法

純化方法It crystallises from absolute EtOH and is dried in vacuo. The gold chloride complex has m 177.5-178.5o. [Addison & Sheldon J Chem Soc 2705 1956, Cox & Westheimer J Am Chem Soc 80 5441 1958, Beilstein 16 III 864, 16 1011.]

サプライヤー50 社

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

補足説明

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

関連反応

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