Basic information
- CAS
50527-34-9- Standard SMILES
O=c1oc2ccccc2c(N2CCOCC2)c1[N+](=O)[O-]- InChIKey
PYOMMFZCTIFHMA-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.07462149
Names & identifiers
- Preferred name
- Coumarin, 4-morpholino-3-nitro-
- IUPAC
- 4-morpholin-4-yl-3-nitrochromen-2-one
- English name
- 4-Morpholin-4-yl-3-nitro-chromen-2-one
- Molecular formula
- C13H12N2O5
- Molecular weight
- 276.24
Names & synonyms
50527-34-94-Morpholino-3-nitrocoumarinCOUMARIN, 4-MORPHOLINO-3-NITRO-BRN 1149025DTXSID00198537RefChem:334439DTXCID601210284-(morpholin-4-yl)-3-nitro-2H-chromen-2-one4-Morpholino-3-nitro-2H-chromen-2-one4-morpholin-4-yl-3-nitrochromen-2-one4-morpholin-4-yl-3-nitro-2H-chromen-2-one4-Morpholin-4-yl-3-nitro-chromen-2-one
Show more names
2H-1-Benzopyran-2-one, 4-(4-morpholinyl)-3-nitro-
4-(Morpholin-4-yl)-3-nitro-2H-1-benzopyran-2-one3-nitro-4-(4-morpholinyl)-2H-chromen-2-oneMLS000856311CHEMBL1320416HMS2690M124-morpholino-3-nitro-chromen-2-oneSTK9972834-morpholinyl-3-nitro-chromen-2-one
Database identifiers
- CAS
50527-34-9- PubChem CID
- 39688
- DTXSID
DTXSID00198537- ChEMBL
CHEMBL1320416- EC Number
- 160-633-4
- Nikkaji
- J67.697G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility>41.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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