Acetic acid, (p-tolylsulfonyl)-, ethyl ester

HCID 76102CAS 2850-19-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIKey
VDXYJUBMHZEPOQ-UHFFFAOYSA-N
Molecular formula
C11H14O4S
Average molar mass
242.29 g/mol
Monoisotopic mass
242.06127993

Names & identifiers

Preferred name
Acetic acid, (p-tolylsulfonyl)-, ethyl ester
IUPAC
ethyl 2-(4-methylphenyl)sulfonylacetate
English name
Ethyl 2-[(4-methylphenyl)sulfonyl]acetate
Molecular formula
C11H14O4S
Molecular weight
242.29

Names & synonyms

2850-19-3Ethyl 2-tosylacetateAcetic acid, (p-tolylsulfonyl)-, ethyl esterethyl 2-(4-methylbenzenesulfonyl)acetateethyl 2-[(4-methylphenyl)sulfonyl]acetateethyl 2-(4-methylphenyl)sulfonylacetateEthyl (4-tolylsulphonyl)acetateEthyl [(4-methylphenyl)sulfonyl]acetateEthyl 2-((4-methylphenyl)sulfonyl)acetateEthyl alpha-(p-tolylsulfonyl)acetateEthyl 2-(para-tolylsulfonyl)-acetateMFCD00026900
Show more names
BUTTPARK 52\04-492-Tosylacetic acid ethyl esterEthyl alpha-(p-toluenesulfonyl)acetate(p-Tolylsulfonyl)acetic acid ethyl esterethyl 2-(4-methylphenyl)sulfonylethanoate
Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl esterAcetic acid, ((4-methylphenyl)sulfonyl)-, ethyl ester(toluene-4-sulfonyl)-acetic acid ethyl ester[toluene-4-sulfonyl]-acetic acid ethyl esterethyl tosylacetateEINECS 220-656-3Acetic acid, 2-[(4-methylphenyl)sulfonyl]-, ethyl esterAI3-07617

Database identifiers

CAS
2850-19-3
PubChem CID
76102
DTXSID
DTXSID00951189
EC Number
220-656-3
Nikkaji
J119.567K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Physicochemical properties

Melting point
31 · 31-32 °C
Boiling point
149 °C · 149 °C(Press: 0.2 Torr)
Density
1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers6 total

上海康恩博医药科技有限公司17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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