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Methyl benzenesulfonate, 98%

Catalog No. AAB2451514
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Catalog No. AAB2451514 Supplier Thermo Scientific Chemicals Supplier No. B2451514
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CAS: 80-18-2 | C7H8O3S | 172.20 g/mol

Methyl benzenesulfonate is a sulfonate ester which acts as a potential genotoxic impurity in drug substances. Further, it exerts genotoxic effects in bacterial and mammalian cell systems.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl benzenesulfonate is a sulfonate ester which acts as a potential genotoxic impurity in drug substances. Further, it exerts genotoxic effects in bacterial and mammalian cell systems.

Solubility
Miscible with chloroform, methanol, ethanol and ether. Immiscible with water.

Notes
Incompatible with strong oxidizing agents, strong acids and strong bases.

Chemical Identifiers

CAS 80-18-2
Molecular Formula C7H8O3S
Molecular Weight (g/mol) 172.20
MDL Number MFCD00014737
InChI Key CZXGXYBOQYQXQD-UHFFFAOYSA-N
Synonym benzenesulfonic acid, methyl ester, methyl benzenesulphonate, methyl besylate, methylbenzenesulfonate, ccris 9156, benzenesulfonic acid methyl ester, methyl benzene sulfonate, methyl ester of benzenesulphonic acid, methylbenzene sulfonate, pubchem22730
PubChem CID 6630
IUPAC Name methyl benzenesulfonate
SMILES COS(=O)(=O)C1=CC=CC=C1

Specifications

Melting Point -4°C
Density 1.269
Boiling Point 280°C
Flash Point 143°C (289°F)
Refractive Index 1.5165
Quantity 25 g
UN Number UN3265
Beilstein 908448
Solubility Information Miscible with chloroform,methanol,ethanol and ether. Immiscible with water.
Formula Weight 172.2
Percent Purity 98%
Chemical Name or Material Methyl benzenesulfonate
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Hazard Category H302-H314-H317-H335
Hazard Statement GHS H Statement
H314-H341-H302
Causes severe skin burns and eye damage.
Suspected of causing genetic defects.
Harmful if swallowed.
Precautionary Statement P260-P264b-P270-P271-P272-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P333+P313-P363-P501c
DOTInformation Hazard Class: 8; Packaging Group: II
EINECSNumber 201-256-8
RTECSNumber DB7151000
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only