Basic information
- CAS
40783-24-2- Standard SMILES
COc1ccc(OC)c(N2C(=O)C=CC2=O)c1- InChIKey
FKTMIANXGGJMNY-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione
- English name
- 1-(2,5-Dimethoxy-phenyl)-pyrrole-2,5-dione
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
40783-24-21-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dioneDTXSID90346904RefChem:222937DTXCID802979761-(2,5-Dimethoxy-phenyl)-pyrrole-2,5-dione1-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1-(2,5-dimethoxyphenyl)pyrrole-2,5-dioneMFCD001757971H-Pyrrole-2,5-dione,1-(2,5-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)azoline-2,5-dioneEnamine_005279
Show more names
AURORA 13695AKOS B006477AKOS MSC-0071ART-CHEM-BB B006477N-(2，5-dimethoxy-phenyl)-maleimide1H-Pyrrole-2,5-dione, 1-(2,5-dimethoxyphenyl)-
SCHEMBL10705337FKTMIANXGGJMNY-UHFFFAOYSA-NHMS1408P21QBA78324SBB020226STK347684AKOS000116625IDI1_007866
Database identifiers
- CAS
40783-24-2- PubChem CID
- 616263
- DTXSID
DTXSID90346904
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 403.8 · 403.8±35.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- -0.15 · -0.15±0.20(Predicted)
- 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
Suppliers4 total
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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