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CAS No.: | 34097-60-4 |
---|---|
Name: | Methyl phenylsulfonylacetate |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C9H10O4S |
Molecular Weight: | 214.242 |
Synonyms: | (Methoxycarbonyl)methyl phenylsulfone;(Phenylsulfonyl)acetic acid methyl ester;Methyl 2-(phenylsulfonyl)acetate; |
Density: | 1.277 g/cm3 |
Melting Point: | 30 °C |
Boiling Point: | 445.142 °C at 760 mmHg |
Flash Point: | 180.623 °C |
Solubility: | Insoluble in water. |
Appearance: | white to light yellow solid. |
Risk Codes: | 10 |
Safety: | 23-24/25 |
PSA: | 68.82000 |
LogP: | 1.71410 |
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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