2,4,5-Trifluorobenzylmercaptan

Base Information

• Chemical Name: 2,4,5-Trifluorobenzylmercaptan
• CAS No.: 886498-39-1
• Molecular Formula: C7H5F3S
• Molecular Weight: 178.17
• Hs Code.: 2930909090
• European Community (EC) Number: 674-551-6
• DSSTox Substance ID: DTXSID50375775
• Wikidata: Q82164455
• Mol file: 886498-39-1.mol

Synonyms:2,4,5-Trifluorobenzylmercaptan;886498-39-1;(2,4,5-trifluorophenyl)methanethiol;DTXSID50375775;AKOS006287232;FS-5848;CS-0268585;EN300-1288802;A915222

Chemical Property of 2,4,5-Trifluorobenzylmercaptan

Chemical Property:

• Vapor Pressure: 0.619mmHg at 25°C
• Boiling Point: 194.4°C at 760 mmHg
• Flash Point: 72.5°C
• PSA: 38.80000
• Density: 1.345g/cm³
• LogP: 2.53370
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.00640582
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-Trifluorobenzylmercaptan 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)CS

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