Basic information
- CAS
27402-31-9- Standard SMILES
O=C1NC(=O)C(=Cc2ccc(Cl)cc2)C(=O)N1- InChIKey
BGDCXSLVGJREMP-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O3
- Average molar mass
- 250.64 g/mol
- Monoisotopic mass
- 250.0145198
Names & identifiers
- Preferred name
- 5-(4-Chloro-benzylidene)-pyrimidine-2,4,6-trione
- IUPAC
- 5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
- Molecular formula
- C11H7ClN2O3
- Molecular weight
- 250.64
Names & synonyms
5-(4-Chloro-benzylidene)-pyrimidine-2,4,6-trioneRefChem:530248683-839-027402-31-9MLS0033891195-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trioneNSC6366072,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(4-chlorophenyl)methylene]-5-[(4-chlorophenyl)methylene]-1,3-dihydropyrimidine-2,4,6-trioneNSC3598505-(4-chlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trioneMaybridge1_002419
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-chlorophenyl)methylene]-
DivK1c_001171CHEMBL577491SCHEMBL31406586HMS548F21DTXSID00320457SBB100816STK042282AKOS000521124
Database identifiers
- CAS
27402-31-9- PubChem CID
- 338258
- DTXSID
DTXSID00320457- ChEMBL
CHEMBL577491- EC Number
- 683-839-0
- Nikkaji
- J684.819B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers5 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MolMall Sarl[email protected]
VITAS-BB—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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