Methyl 2-(4-(methylsulfonyl)phenyl)acetate

HCID 16640928
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Basic information

CAS
300355-18-4
Standard SMILES
COC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIKey
HCMUPMCWKYOOBZ-UHFFFAOYSA-N
Molecular formula
C10H12O4S
Average molar mass
228.27 g/mol
Monoisotopic mass
228.04562986

Names & identifiers

Preferred name
Methyl 2-(4-(methylsulfonyl)phenyl)acetate
IUPAC
methyl 2-(4-methylsulfonylphenyl)acetate
English name
Methyl 2-(4-(methylsulfonyl)phenyl)acetate
Molecular formula
C10H12O4S
Molecular weight
228.26

Names & synonyms

Methyl 2-(4-(methylsulfonyl)phenyl)acetate300355-18-4methyl 2-(4-methylsulfonylphenyl)acetateMETHYL 2-(4-METHANESULFONYLPHENYL)ACETATESCHEMBL1096091DTXSID20586351HCMUPMCWKYOOBZ-UHFFFAOYSA-NAMA35518HS-7991Methyl [4-(methanesulfonyl)phenyl]acetateMethyl2-(4-(methylsulfonyl)phenyl)acetateDB-334409
Show more names
Benzeneacetic acid, 4-(methylsulfonyl)-, methyl ester
4-Methylsulfonylphenylacetic acid methyl esterG31219(4-methanesulfonylphenyl)acetic acid methyl esterEN300-9475081(4-methanesulfonylphenyl)-acetic acid methyl ester(4-methylsulfonyl-phenyl)-acetic acid methyl ester4-(methanesulfonyl)phenyl acetic acid methyl ester(4-methanesulfonyl-phenyl)-acetic acid methyl ester

Database identifiers

CAS
300355-18-4
PubChem CID
16640928
DTXSID
DTXSID20586351

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
376.9 · 376.9±34.0 °C(Predicted)
Density
1.24 · 1.240±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers8 total

济南百隆化学有限公司[email protected] · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]

Related reactions

31 records
New reaction record

Compound notes

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