3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid

Base Information

• Chemical Name: 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid
• CAS No.: 254748-99-7
• Molecular Formula: C10H11 Cl O2 S
• Molecular Weight: 230.71
• DSSTox Substance ID: DTXSID40372314
• Mol file: 254748-99-7.mol

Synonyms:254748-99-7;3-[(4-chlorophenyl)thio]-2-methylpropanoic acid;3-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid;Maybridge1_007294;HMS562D12;3-(4-chlorophenylthio)-2-methylpropanoic acid;3-((4-Chlorophenyl)thio)-2-methyl propanoic acid;DTXSID40372314;MFCD01934442;2-(4-amino-3-nitrobenzoyl)benzoicacid;FT-0722045;3-[(4-chlorophenyl)thio]-2-methylpropanoic acid, AldrichCPR

Chemical Property of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 2.9E-06mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.592
• Boiling Point: 374.2°Cat760mmHg
• Flash Point: 180.1°C
• PSA: 62.60000
• Density: 1.3g/cm³
• LogP: 3.15280
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.0168285
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSC1=CC=C(C=C1)Cl)C(=O)O