Product Name: Methyl phenylsulfonyl acetate (CAS NO.34097-60-4)
Molecular Formula: C9H10O4S
Molecular Weight: 214.24g/mol
Mol File: 34097-60-4.mol
Melting Point: 30°C
Boiling point: 445.1 °C at 760 mmHg
Flash Point: 180.6 °C
Density: 1.277 g/cm3
Refractive index: n20/D 1.535(lit.)
Surface Tension: 42.8 dyne/cm
Enthalpy of Vaporization: 70.31 kJ/mol
Vapour Pressure: 4.04E-08 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Methyl phenylsulfonyl acetate (CAS NO.34097-60-4):
IUPAC Name: methyl 2-(benzenesulfonyl)acetate
Canonical SMILES: COC(=O)CS(=O)(=O)C1=CC=CC=C1
InChI: InChI=1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey: NLEAIFBNKPYTGN-UHFFFAOYSA-N
Product Categories: Benzene series
Safety Information of Methyl phenylsulfonyl acetate (CAS NO.34097-60-4):
Safety Statements: 23-24/25
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24: Avoid contact with skin
25: Avoid contact with eyes
WGK Germany: 3
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