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42772-85-0

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42772-85-0 Structure

42772-85-0 Structure
IdentificationBack Directory
[Name]

2-(4-Methylphenyl)sulfonyloxyethanol
[CAS]

42772-85-0
[Synonyms]

42772-85-0
OH-PEG1-Tos
Theophylline Impurity 9
2-(4-Methylphenyl)sulfonyloxyethanol
2-HYDROXYETHYL 4-METHYLBENZENESULFONATE
2-[(4-Methylbenzenesulfonyl)oxy]ethan-1-ol
2-Hydroxyethyl-4-methyl benzene sulphonate
1,2-Ethanediol, 1-(4-methylbenzenesulfonate)
[Molecular Formula]

C9H12O4S
[MDL Number]

MFCD27950701
[MOL File]

42772-85-0.mol
[Molecular Weight]

216.25
Chemical PropertiesBack Directory
[Melting point ]

135-136 °C
[Boiling point ]

376.8±25.0 °C(Predicted)
[density ]

1.278 g/cm3
[storage temp. ]

Storage temp. 2-8°C
[pka]

13.76±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C9H12O4S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5,10H,6-7H2,1H3
[InChIKey]

DZVSAHOHDQUFMZ-UHFFFAOYSA-N
[SMILES]

C(OS(C1=CC=C(C)C=C1)(=O)=O)CO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Methylphenyl)sulfonyloxyethanol(42772-85-0)1HNMR
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