Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester
• CAS No.: 83056-32-0
• Molecular Formula: C10H9NO5S
• Molecular Weight: 255.2472
• European Community (EC) Number: 410-900-9
• DSSTox Substance ID: DTXSID5073666
• Nikkaji Number: J1.584.981I
• Mol file: 83056-32-0.mol

Synonyms:83056-32-0;methyl 2-(isocyanatosulfonylmethyl)benzoate;Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester;2-(Isocyanatosulfonylmethyl)benzoic acid methyl ester;Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester;EC 410-900-9;SCHEMBL9657864;DTXSID5073666;LS-37749

Chemical Property of Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

Chemical Property:

• Vapor Pressure: 1.67E-07mmHg at 25°C
• Boiling Point: 427.2°Cat760mmHg
• Flash Point: 212.1°C
• PSA: 98.25000
• Density: 1.34g/cm³
• LogP: 1.71960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 255.02014356
• Heavy Atom Count: 17
• Complexity: 419

Purity/Quality:

99.9% ^*data from raw suppliers

METHYL 2-(ISOCYANATOSULFONYLMETHYL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-14-20-41-42-48/22-68
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C=O

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