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Triphenylphosphine oxide

Triphenylphosphine oxide structure

CAS No:
791-28-6
Formula:
C18H15OP
Chemical Name:
Triphenylphosphine oxide
Synonyms:
Phosphine oxide,triphenyl-;Triphenylphosphine oxide;Triphenyl phosphorus oxide;Triphenylphosphine monoxide;TPPO;NSC 398;PP 560;(Diphenylphosphoroso)benzene;47027-44-1
Categories:
Organic Chemistry > Phosphines

Description

White solid

Triphenylphosphine oxide (often abbreviated TPPO) is the chemical compound with the formula OP(C6H5)3, also written as Ph3PO or PPh3O (Ph = C6H5). This colourless crystalline compound is a common side product in reactions involving triphenylphosphine. It is a popular reagent to induce the crystallizing of chemical compounds.

DryPowder

Triphenylphosphane oxide is a phosphine oxide in which the substituents on phosphorus are three phenyl groups.

Triphenylphosphine oxide Basic Attributes

Molecular Weight：

278.28500

Exact Mass：

278.28

EC Number：

212-338-8

UNII：

Z69161FKI3

NSC Number：

398

DSSTox ID：

DTXSID2022121

HScode：

29310095

Characteristics

PSA：

26.88000

XLogP3：

2.8

Appearance：

DryPowder

Density：

1.140 g/cm³

Melting Point：

156.5 °C

Boiling Point：

>360 °C

Flash Point：

180ºC

Refractive Index：

1.619

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Store at RT.

Vapor Pressure：

<1 hPa (50 °C)

Toxicity：

LD50 orally in Rabbit: 685 mg/kg

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R22; R52/53

safety instructions：

S61

RTECS Number：

SZ1676000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P273-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335-H412

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 213 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P301+P312, P309+P311, P314, P330, P405, and P501

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - mouse	1380 mg/kg	Details of toxic effects not reported other than lethal dose value--	Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 24(4),22,1990

Drug Information

MeSH Entry Terms：

diphenylphosphine oxide

Triphenylphosphine oxide Use and Manufacturing

Uses

Used as organic synthesis and pharmaceutical intermediates, catalysts, extractants, etc.; used in fluorescent anti-counterfeiting powders, etc.; this product is mainly used as solvents, catalysts, corrosion inhibitors; also used in the synthesis of rubber accelerators and other fine chemicals, and Used as a polyurethane catalyst, a catalyst for the synthesis of aminobenzyl penicillin and hydroxybenzyl penicillin. Oxidation with hydrogen peroxide can produce N-methyl morpholine oxide. Acts in organic synthesis intermediates, drug delivery intermediates, catalysts and extractants

Processing aids, not otherwise listed

Paints and coatings

Manufacturing Info：

All other chemical product and preparation manufacturing|Phosphine oxide, triphenyl-: ACTIVE

Computed Properties

Molecular Weight:278.3
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:278.086052095
Monoisotopic Mass:278.086052095
Topological Polar Surface Area:17.1
Heavy Atom Count:20
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

87043-33-2

1078-60-0

68751-05-3

1066-52-0

1006730-16-0

Material

Benzaldehyde

Phenol

Triphenylphosphine

4-Nitrobenzoic acid

tert-Butylamine

Furfural

Downstream Products

Triphenylphosphine

Benzene

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