2-(Difluoromethylthio)benzoyl chloride

Base Information

• Chemical Name: 2-(Difluoromethylthio)benzoyl chloride
• CAS No.: 79676-60-1
• Molecular Formula: C8H5 Cl F2 O S
• Molecular Weight: 222.64
• Hs Code.: 2930909090
• European Community (EC) Number: 670-736-0
• DSSTox Substance ID: DTXSID30378921
• Wikidata: Q82168520
• Mol file: 79676-60-1.mol

Synonyms:2-(Difluoromethylthio)benzoyl chloride;79676-60-1;2-(difluoromethylsulfanyl)benzoyl chloride;Benzoyl chloride,2-[(difluoromethyl)thio]-;2-[(difluoromethyl)sulfanyl]benzoyl chloride;SCHEMBL7189083;DTXSID30378921;NIDOHIKAMXAESY-UHFFFAOYSA-N;STR05365;MFCD01631519;2-(DIFLUOROMETHYLTHIO)BENZOYLCHLORIDE;FT-0610838;2-[(Difluoromethyl)mercapto]-benzoyl chloride;2-[bis(fluoranyl)methylsulfanyl]benzoyl chloride;A839737

Chemical Property of 2-(Difluoromethylthio)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.135mmHg at 25°C
• Refractive Index: 1.5674
• Boiling Point: 135 °C
• Flash Point: 89.4°C
• PSA: 42.37000
• Density: 1.234g/cm³
• LogP: 3.38030
• Sensitive.: Stench
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.9717700
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Difluoromethylthio)benzoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)Cl)SC(F)F