Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester
• CAS No.: 87647-73-2
• Molecular Formula: C13H20NO4PS
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID801007714
• Mol file: 87647-73-2.mol

Synonyms:87647-73-2;Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate;Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester;C13H20NO4PS;DTXSID801007714;LS-144360;Propan-2-yl 2-({amino[(propan-2-yl)sulfanyl]phosphoryl}oxy)benzoate

Chemical Property of Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 8.75E-08mmHg at 25°C
• Boiling Point: 435.5°C at 760 mmHg
• Flash Point: 217.2°C
• PSA: 113.73000
• Density: 1.22g/cm³
• LogP: 4.53930
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 317.08506629
• Heavy Atom Count: 20
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1OP(=O)(N)SC(C)C

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