4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide

Base Information

• Chemical Name: 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide
• CAS No.: 51486-56-7
• Molecular Formula: C7H13O3PS
• Molecular Weight: 208.2151
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80199466
• Nikkaji Number: J96.908G
• Wikidata: Q83072387
• Mol file: 51486-56-7.mol

Synonyms:BRN 5509911;51486-56-7;4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide;Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol;1,3-Propanediol, 2-(hydroxymethyl)-2-isopropyl-, cyclic phosphorothioate (1:1);2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1-methylethyl)-, 1-sulfide;2-(Hydroxymethyl)-2-isopropyl-1,3-propanediol, cyclic phosphorothioate (1:1);4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide;2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1-methylethyl)-, 1-sulfide;DTXSID80199466;FVYOWJAKNCNKPR-UHFFFAOYSA-N;4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thione;LS-108508;4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide

Chemical Property of 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide

Chemical Property:

• Vapor Pressure: 0.184mmHg at 25°C
• Boiling Point: 218.6°Cat760mmHg
• Flash Point: 86°C
• PSA: 69.59000
• Density: 1.29g/cm³
• LogP: 2.58090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.03230244
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C12COP(=S)(OC1)OC2