2,2,2-Trichloroethyl sulfamate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl sulfamate
• CAS No.: 69226-51-3
• Molecular Formula: C2H4Cl3NO3S
• Molecular Weight: 228.484
• DSSTox Substance ID: DTXSID20219273
• Nikkaji Number: J90.615H
• Wikidata: Q83096187
• ChEMBL ID: CHEMBL23067
• Mol file: 69226-51-3.mol

Synonyms:2,2,2-Trichloroethyl sulfamate;69226-51-3;2,2,2-Trichloroethoxysulfonamide;Sulfamic acid, 2,2,2-trichloroethyl ester;CHEMBL23067;MFCD01683146;Cl3CCH2OSO2NH2;C2H4Cl3NO3S;2 2 2-TRICHLOROETHOXYSULFONAMIDE 97;Sulfamic acid trichloroethyl;SCHEMBL893732;2,2,2-Trichloroethylsulfamate;C2-H4-Cl3-N-O3-S;DTXSID20219273;VOKONKGVTXWZJI-UHFFFAOYSA-N;2,2,2-Trichloroethoxysulfonylamine;BDBM50112404;AKOS037645722;2,2,2-Trichloroethoxysulfonamide,97%;2,2,2-Trichloroethoxysulfonamide, 97%;AS-62661;Sulfamic Acid 2,2,2-Trichloroethyl Ester;LS-147689;Sulfamic acid 2,2,2-trichloro-ethyl ester;CS-0182621;T2646;T72835

Chemical Property of 2,2,2-Trichloroethyl sulfamate

Chemical Property:

• Vapor Pressure: 0.00231mmHg at 25°C
• Melting Point: 55.0 to 59.0 °C
• Boiling Point: 288.7°Cat760mmHg
• PKA: 8.21±0.70(Predicted)
• Flash Point: 128.4°C
• PSA: 77.77000
• Density: 1.801g/cm³
• LogP: 2.35780
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.897747
• Heavy Atom Count: 10
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2-Trichloroethyl Sulfamate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OS(=O)(=O)N
• Uses: Rh2(esp)2: An Exceptionally Efficient and Selective Catalyst for C-H Amination