Basic information
- CAS
289491-70-9- Standard SMILES
COC(=O)Cc1ccccc1S(=O)(=O)Cl- InChIKey
XYRJVNXXXQQFSB-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4S
- Average molar mass
- 248.68 g/mol
- Monoisotopic mass
- 247.9910076
Names & identifiers
- Preferred name
- Methyl 2-(2-(chlorosulfonyl)phenyl)acetate
- IUPAC
- methyl 2-(2-chlorosulfonylphenyl)acetate
Names & synonyms
289491-70-9Methyl 2-(2-(chlorosulfonyl)phenyl)acetatemethyl 2-[2-(chlorosulfonyl)phenyl]acetateRefChem:813203962-132-3Methyl 2-(2-chlorosulfonylphenyl)acetatemethyl2-[2-(chlorosulfonyl)phenyl]acetateEN300-211523
Database identifiers
- CAS
289491-70-9- PubChem CID
- 79547784
- EC Number
- 962-132-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…