O-(3-tert-butylphenyl) chloromethanethioate

Base Information

• Chemical Name: O-(3-tert-butylphenyl) chloromethanethioate
• CAS No.: 97986-06-6
• Molecular Formula: C11H13 Cl O S
• Molecular Weight: 228.74
• DSSTox Substance ID: DTXSID30350808
• Nikkaji Number: J319.658E
• Wikidata: Q72504027
• Mol file: 97986-06-6.mol

Synonyms:97986-06-6;3-(tert-Butyl)phenyl carbonochloridothioate;O-(3-tert-butylphenyl) chloromethanethioate;SCHEMBL6865312;DTXSID30350808;AKOS009031520;FT-0657415;O-(3-tert-Butylphenyl) carbonochloridothioate;A845779;chloromethanethioic acid O-(3-tert-butylphenyl) ester

Chemical Property of O-(3-tert-butylphenyl) chloromethanethioate

Chemical Property:

• Vapor Pressure: 0.000643mmHg at 25°C
• Refractive Index: n20/D 1.549(lit.)
• Boiling Point: 309.4°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 41.32000
• Density: 1.123 g/mL at 25oC(lit.)
• LogP: 3.88660
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.0375639
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

3-(TERT-BUTYL)PHENYL CARBONOCHLORIDOTHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC=C1)OC(=S)Cl