O,O,O-Tris(4-isocyanatophenyl) phosphorothioate

Basic Information

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CAS Number

4151-51-3

Molecular Formula

C21H12N3O6PS

Molecular Weight

465.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

589.3 °C at 760 mmHg

Density

1.38

Flash Point

310.2 °C

Refractive Index

1.636

SMILES

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C1=CC(=CC=C1N=C=O)OP(=S)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O

InChI

InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H

InChIKey

KGLSETWPYVUTQX-UHFFFAOYSA-N

LogP

5.349800000000004

Topological Polar Surface Area

115.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 9

Complexity

696

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)
AKOS015901808
0G637UP5EY
TRIS(4-ISOCYANATOPHENYL) PHOSPHOROTHIOATE
Tris(4-isocyanatophenyl)thiophosphate
TRIS(P-ISOCYANATOPHENYL) MONOSULFOPHOSPHATE
O,O,O-tris(4-isocyanatophenyl) phosphorothioate
AMY28671
0,0,0-Tris-(4-Isocyanatophenyl)Thiophosphate
Tris(p-isocyanatophenyl) thiophosphate
tris(p-isocyanatophenyl)thiophosphate
A825577
EC 223-981-9
DTXSID9063320
NS00001321
Q27236742
thiophosphoric acid tris(p-isocyanatophenyl ester)
PHOSPHOROTHIOIC ACID, O,O,O-TRIS(P-ISOCYANATOPHENYL) ESTER
FT-0605455
Tris(4-isocyanatophenyl) thiophosphate
4151-51-3
tris(4-isocyanatophenoxy)-sulfanylidene-lambda5-phosphane
UNII-0G637UP5EY
C21H12N3O6PS
SCHEMBL36756
KGLSETWPYVUTQX-UHFFFAOYSA-N
Phenol, 4-isocyanato-, 1,1',1''-phosphorothioate
TRI(4-PHENYL ISOCYANATE) THIOPHOSPHATE
ISOCYANIC ACID, P-HYDROXYPHENYL ESTER, PHOSPHOROTHIOATE (3:1) (ESTER)
EINECS 223-981-9
TPTI

MDL Number

MFCD01941043

Customs Code

2929109000

FAQ

What regulatory guidelines apply to O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3)?

O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and the EPA and OSHA in the United States. Manufacturers and importers must comply with these regulations for proper hazard communication, labeling, and reporting.

Are there alternatives to O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) in synthesis?

There are several alternatives to O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) in synthesis, including other phosphorothioates with different substituents, isocyanate derivatives, and other organophosphorus compounds. These alternatives can offer similar functionalities but with varying reactivity and toxicity profiles.

What is the market or research trend for O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3)?

The market for O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) has seen growing interest in its use as a pesticide and in research for its potential as a biocontrol agent. Recent trends indicate increasing demand due to the development of resistance to traditional pesticides. Research is also focusing on its environmental impact and toxicity.

How should waste containing O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) be handled?

Waste containing O,O,O-Tris(4-isocyanatophenyl) phosphorothioate (CAS: 4151-51-3) should be collected in appropriate containers and disposed of through professional waste disposal services. Proper incineration or chemical neutralization methods should be employed to minimize environmental impact. Ensure all safety precautions are followed to prevent exposure and contamination.