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Methyl N-((4-methylphenyl)sulfonyl)carbamate

HCID 84437
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Basic information

CAS
14437-03-7
Standard SMILES
COC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIKey
KNVDHKOSDVFZTO-UHFFFAOYSA-N
Molecular formula
C9H11NO4S
Average molar mass
229.26 g/mol
Monoisotopic mass
229.04087901

Names & identifiers

Preferred name
Methyl N-((4-methylphenyl)sulfonyl)carbamate
IUPAC
methyl N-(4-methylphenyl)sulfonylcarbamate
English name
methyl tosylcarbamate
Molecular formula
C9H11NO4S
Molecular weight
229.25

Names & synonyms

Methyl tosylcarbamate14437-03-7BDN9HT2LGXDTXSID50162687RefChem:1089594DTXCID9085178Methyl N-((4-methylphenyl)sulfonyl)carbamate238-411-4N-(p-Tosyl)carbamic Acid Methyl Estermethyl N-(4-methylphenyl)sulfonylcarbamateEINECS 238-411-4MFCD00453717
Show more names
Gliclazide Impurity 19Methyl N-(p-toluenesulfonyl)carbaMateN-(Methoxycarbonyl)-p-toluenesulfonamideMETHYL (4-METHYLPHENYL)SULFONYLCARBAMATE
Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, methyl esterMETHYL N-(4-METHYLBENZENESULFONYL)CARBAMATECarbamic acid, [(4-methylphenyl)sulfonyl]-, methyl esterCarbamic acid, ((4-methylphenyl)sulfonyl)-, methyl esterMethyl N-(p-Tosyl)carbamate(p-Tolylsulfonyl)carbamic Acid Methyl EsterN-Tosylcarbamic acid methyl esterMethyltosylcarbamate

Database identifiers

CAS
14437-03-7
PubChem CID
84437
DTXSID
DTXSID50162687
UNII
BDN9HT2LGX
EC Number
238-411-4
Nikkaji
J145.921J

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
311

Physicochemical properties

Melting point
115 °C · 115 °C
Density
1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Ethyl Acetate (Slightly) , Methanol (Slightly)
pka
4.76 · 4.76±0.10(Predicted)
form
Solid
color
White to Off-White
FDA UNII
9 HT2LGX · BDN9HT2LGX

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Applications

UsesN-(p-Tosyl)carbamic Acid Methyl Ester is a degradation product of Gliclazide.

Upstream & downstream products

Upstream raw materials

p-ToluenesulfonamideMethyl chloroformateTriethylamineDichloromethane

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Compound notes

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