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Phosphorotrithiousacid, tridodecyl ester

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Name

Phosphorotrithiousacid, tridodecyl ester

EINECS 216-751-4
CAS No. 1656-63-9 Density 0.92 g/mL(25/4 ºC)
PSA 89.49000 LogP 16.17560
Solubility N/A Melting Point 23 ºC
Formula C36H75PS3 Boiling Point 667.8 ºC at 760 mmHg
Molecular Weight 635.163 Flash Point 357.7 ºC
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1656-63-9 (TRILAURYL TRITHIOPHOSPHITE) Hazard Symbols N/A
Synonyms

Tridodecyl phosphorotrithioite;Trilauryl Trithiophosphite;TRISDODECYL TRITHIOPHOSPHITE;tridodecyl trithiophosphite;

Article Data 4

Phosphorotrithiousacid, tridodecyl ester Specification

The Phosphorotrithiousacid, tridodecyl ester, with CAS registry number of 1656-63-9, is also known as Tridodecyl phosphorotrithioite. Its IUPAC name is tris(dodecylsulfanyl)phosphane. Its molecular formula is C36H75PS3, and its molecular weight is 635.149461.

Physical properties about this chemical are: (1) ACD/LogP: 21.45; (2) # of Rule of 5 Violations: 2; (3) ACD/Log D (pH5.5): 21.45; (4) ACD/LogD (pH7.4): 21.45; (5) ACD/BCF (pH5.5): 1000000; (6) ACD/BCF (pH7.4): 1000000; (7) ACD/KOC (pH5.5): 10000000; (8) ACD/KOC (pH7.4): 10000000; (9) # H bond acceptors: 0; (10) # H bond donors: 0; (11) # Freely Rotating Bonds: 36; (12) Polar Surface Area: 89.49 Å2; (13) Flash Point: 357.7 °C; (14) Enthalpy of Vaporization: 94.62 kJ/mol; (15) Boiling Point: 667.8 °C at 760mmHg; (16) Vapour Pressure: 5.93E-17 mmHg at 25°C.  

Uses of Phosphorotrithiousacid, tridodecyl ester:  it can be used to produce other chemicals. For example, it can react with toluene-4-sulfonic acid to get n-Dodecyl-p-toluolthiolsulfonat. The reaction occurs under the condition of benzene as solvent  and other condition of heating for 15 hours. The yield is 42%.   

Phosphorotrithiousacid, tridodecyl ester can react with toluene-4-sulfonic acid to get  n-Dodecyl-p-toluolthiolsulfonat

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES:S(P(SCCCCCCCCCCCC)SCCCCCCCCCCCC)CCCCCCCCCCCC
(2)InChI:InChI=1/C36H75PS3/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
(3)InChIKey:JZNDMMGBXUYFNQ-UHFFFAOYAV

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