Basic information
- CAS
445224-63-5- Standard SMILES
COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl- InChIKey
JYCBXPKSQXFWGP-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO5S
- Average molar mass
- 319.76 g/mol
- Monoisotopic mass
- 319.0281214
Names & identifiers
- Preferred name
- Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate
- IUPAC
- methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
Names & synonyms
methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate445224-63-5methyl 2-chloro-5-(morpholin-4-ylsulfonyl)benzoatemethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoateCBMicro_018346CCG-6833VSA22463AKOS000729116BIM-0018515.P001CS-0244643ST50282180EN300-28649
Show more names
methyl 2-chloro-5-morpholinosulfonyl-benzoateG34997AK-918/11144019methyl2-chloro-5-(morpholine-4-sulfonyl)benzoateZ18289907
Database identifiers
- CAS
445224-63-5- PubChem CID
- 779059
- EC Number
- 160-569-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
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
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, P317, 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
0 records
No reaction records under the current filter.
Compound notes
Loading…