Methyl 2-(4-chlorobenzenesulfonyl)acetate

HCID 868600
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Basic information

CAS
15446-25-0
Standard SMILES
COC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIKey
RWMPWXCERLGUAF-UHFFFAOYSA-N
Molecular formula
C9H9ClO4S
Average molar mass
248.68 g/mol
Monoisotopic mass
247.99100745

Names & identifiers

Preferred name
Methyl 2-(4-chlorobenzenesulfonyl)acetate
IUPAC
methyl 2-(4-chlorophenyl)sulfonylacetate

Names & synonyms

METHYL 2-(4-CHLOROBENZENESULFONYL)ACETATERefChem:813497819-217-415446-25-0methyl [(4-chlorophenyl)sulfonyl]acetatemethyl 2-(4-chlorophenyl)sulfonylacetateMFCD01122030SCHEMBL1346520DTXSID30871967RWMPWXCERLGUAF-UHFFFAOYSA-Nmethyl 4-chlorophenylsulfonylacetateQAA44625
Show more names
SBB100491STL134645AKOS005745121Methyl (4-chlorobenzene-1-sulfonyl)acetatemethyl 2-[(4-chlorophenyl)sulfonyl]acetateCS-0236121EN300-1692408METHYL2-(4-CHLOROBENZENESULFONYL)ACETATE

Database identifiers

CAS
15446-25-0
PubChem CID
868600
DTXSID
DTXSID30871967
EC Number
819-217-4
Nikkaji
J1.557.016D

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Experimental & physicochemical properties

LogP1.31

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

2 records
New reaction record

Compound notes

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