Basic information
- CAS
52480-33-8- Standard SMILES
O=S(=O)(c1ccc(Cl)nc1)N1CCOCC1- InChIKey
BHGFDIYEFUUCNM-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O3S
- Average molar mass
- 262.71 g/mol
- Monoisotopic mass
- 262.0178911
Names & identifiers
- Preferred name
- 4-[(6-Chloropyridin-3-yl)sulfonyl]morpholine
- IUPAC
- 4-[(6-chloro-3-pyridinyl)sulfonyl]morpholine
- English name
- 4-(6-CHLORO-PYRIDINE-3-SULFONYL)-MORPHOLINE
- Molecular formula
- C9H11ClN2O3S
- Molecular weight
- 262.71
Names & synonyms
4-[(6-chloropyridin-3-yl)sulfonyl]morpholine4-((6-Chloropyridin-3-yl)sulfonyl)morpholineRefChem:509684859-050-452480-33-84-(6-chloro-pyridine-3-sulfonyl)-morpholineMFCD035049174-(6-chloropyridin-3-yl)sulfonylmorpholineHMS3047F03NSC119956MLS002246364Morpholine, 4-[(6-chloro-3-pyridinyl)sulfonyl]-
Show more names
4-[(6-CHLORO-3-PYRIDINYL)SULFONYL]MORPHOLINE
SCHEMBL3149654CHEMBL2133835SCHEMBL30693019DTXSID50297988BHGFDIYEFUUCNM-UHFFFAOYSA-NAKOS000200814NSC-119956SMR001309980
Database identifiers
- CAS
52480-33-8- PubChem CID
- 274147
- DTXSID
DTXSID50297988- ChEMBL
CHEMBL2133835- EC Number
- 859-050-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
Solubility>39.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 143 · 143-144 °C
- Boiling point
- 428.6 · 428.6±55.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- -2.46 · -2.46±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
韶远科技（上海）有限公司4000665055 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
Loading…