4-Salicyloylmorpholine
Basic information
- CAS
3202-84-4- Standard SMILES
O=C(c1ccccc1O)N1CCOCC1- InChIKey
TUFGIGGYNZUDAL-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-Salicyloylmorpholine
- IUPAC
- (2-hydroxyphenyl)-morpholin-4-ylmethanone
- English name
- N-SALICYLOYL MORPHOLINE
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
3202-84-44-SalicyloylmorpholineTardisal2-(4-morpholinylcarbonyl)phenol4-Salicyloylmorpholine [MI]NSC-23201RVC-570Methanone, (2-hydroxyphenyl)-4-morpholinyl-71U6BE85KUL-1102RefChem:5267032-(morpholine-4-carbonyl)phenol
Show more names
4-(2-Hydroxybenzoyl)morpholine(2-hydroxyphenyl)-morpholin-4-yl-methanone
2-(morpholin-4-ylcarbonyl)phenol(2-Hydroxyphenyl)(morpholino)methanoneN-SALICYLOYL MORPHOLINE(2-hydroxyphenyl)-morpholin-4-ylmethanoneMFCD00038032(2-hydroxyphenyl)(morpholin-4-yl)methanone(2-hydroxyphenyl)-morpholino-methanoneSalicyl morpholide
Database identifiers
- CAS
3202-84-4- PubChem CID
- 229478
- DTXSID
DTXSID20281834- ChEMBL
CHEMBL2135599- UNII
- 71U6BE85KU
- EC Number
- 654-296-7
- Nikkaji
- J7.689I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Solubility30.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 342.69 °C · 342.69°C (rough estimate)
- Density
- 1.2424 · 1.2424 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- pka
- 9.03 · 9.03±0.30(Predicted)
- CAS DataBase Reference
- 3202 · 3202-84-4
- FDA UNII
- 71 U6BE85KU · 71U6BE85KU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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