1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate

Base Information

• Chemical Name: 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate
• CAS No.: 135204-19-2
• Molecular Formula: C10H7ClO4S
• Molecular Weight: 258.682
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40404321
• Nikkaji Number: J899.956B
• Wikidata: Q69756797
• Mol file: 135204-19-2.mol

Synonyms:135204-19-2;1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate;(1,1-Dioxidobenzo[b]thiophen-2-yl)methyl carbonochloridate;(1,1-dioxo-1-benzothiophen-2-yl)methyl carbonochloridate;Benzo[b]thiophenesulfone-2-methoxycarbonyl chloride;SCHEMBL7262908;DTXSID40404321;MFCD01090984;AKOS027378513;FT-0606144;EN300-7441142;(1,1-Dioxidobenzo[b]thiophen-2-yl)methylcarbonochloridate;(1,1-dioxo-1lambda6-benzothiophen-2-yl)methyl chloroformate

Chemical Property of 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 76-77°C
• Refractive Index: 1.608
• Boiling Point: 433.2°Cat760mmHg
• Flash Point: 215.8°C
• PSA: 68.82000
• Density: 1.532g/cm³
• LogP: 3.27100
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.9753576
• Heavy Atom Count: 16
• Complexity: 421

Purity/Quality:

98% ^*data from raw suppliers

1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-41
• Safety Statements: 26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)Cl
• Uses: 1,1-Dioxobenzo[b]thiophen-2-ylmethyl chloroformate is used for protection of amino acids as their benzothiophenesulfone-2-methoxycarbonyl (Bsmoc) derivatives, which represent a significant improvement in solid-phase peptide synthesis over the corresponding Fmoc derivatives.