Basic information
- CAS
49546-71-6- Standard SMILES
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1- InChIKey
IWKTUKNFSHWMNP-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.0640568
Names & identifiers
- Preferred name
- 5-(4-Methoxybenzylidene)barbituric acid
- IUPAC
- 5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 5-[(4-methoxyphenyl)methylene]barbituric acid
- Molecular formula
- C12H10N2O4
- Molecular weight
- 246.22
Names & synonyms
49546-71-65-Anisylidinebarbituric acidBARBITURIC ACID, 5-(p-METHOXYBENZYLIDENE)-5-(p-Methoxybenzylidene)barbituric acidEINECS 256-365-3NSC 939445-(4-Methoxybenzylidene)barbituric acid5-(4-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trioneBRN 0229850597YJ9V3Y7NSC-939445-((4-Methoxyphenyl)methylene)barbituric acid
Show more names
5-(4-METHOXY-BENZYLIDENE)-PYRIMIDINE-2,4,6-TRIONE5-(p-Methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
DTXSID601978245-25-03-00353 (Beilstein Handbook Reference)5-[(4-METHOXYPHENYL)METHYLENE]BARBITURIC ACID2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-methoxyphenyl)methylene)-5-[(4-METHOXYPHENYL)METHYLENE]-2,4,6(1H,3H,5H)-PYRIMIDINETRIONEBARBITURIC ACID, 5-P-METHOXYBENZYLIDENE-5-((4-methoxyphenyl)methylene)-2,4,6(1h,3h,5h)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-methoxyphenyl)methylene]-
Database identifiers
- CAS
49546-71-6- PubChem CID
- 39492
- DTXSID
DTXSID60197824
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- FDA UNII
- 597 YJ9V3Y7 · 597YJ9V3Y7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…