Methyl benzenesulfonate, 98%

Description

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.

Specifications

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

• 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

Safety and Handling

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

SDS

RUO – Research Use Only