Carbonochloridic acid, 2-(methylsulfonyl)ethyl ester

HCID 104458

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53298-29-6
Standard SMILES: CS(=O)(=O)CCOC(=O)Cl
InChIKey: KRGWSYPAFWHXQI-UHFFFAOYSA-N
Molecular formula: C4H7ClO4S
Average molar mass: 186.61 g/mol
Monoisotopic mass: 185.97535738

Overview

amino protecting group in peptide synthesis; structure

Names & identifiers

Preferred name: Carbonochloridic acid, 2-(methylsulfonyl)ethyl ester
IUPAC: 2-methylsulfonylethyl carbonochloridate
English name: 2-METHYLSULFONYLETHYL CHLOROCARBONATE
Molecular formula: C4H7ClO4S
Molecular weight: 186.61

Names & synonyms

53298-29-62-Mesylethyl chloroformateMethylsulfonylethyloxycarbonyl groupS37868WS9LDTXSID80201437Carbonochloridic acid, 2-(methylsulfonyl)ethyl esterRefChem:158328DTXCID80123928258-463-12-(methylsulfonyl)ethyl carbonochloridate2-methylsulfonylethyl carbonochloridate2-methanesulfonylethyl chloroformate

Show more names

2-(METHYLSULFONYL)-ETHYL CHLOROFORMATE2-METHYLSULFONYLETHYL CHLOROCARBONATE 97%2-methylsulfonyl ethyloxycarbonyl chlorideChloroformic acid 2-methylsulfonylethyl ester

2-Methylsulfonylethyl chlorocarbonate{2-[(CHLOROCARBONYL)OXY]ETHANESULFONYL}METHANEEINECS 258-463-1SCHEMBL635545UNII-S37868WS9LDCA298292-(methylsulfonyl)ethyl chloroformate2-methylsulfonylethoxycarbonyl chloride

Database identifiers

CAS: 53298-29-6
PubChem CID: 104458
DTXSID: DTXSID80201437
UNII: S37868WS9L
EC Number: 258-463-1
Nikkaji: J40.689I

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 202

Physicochemical properties

Boiling point: 335.6 · 335.6±25.0 °C(Predicted)
Density: 1.43 · 1.430±0.06 g/cm3(Predicted)
FDA UNII: 37868 WS9L · S37868WS9L
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501