Basic information
- CAS
7685-96-3- Standard SMILES
O=C1C=CC(=O)N1CCl- InChIKey
SMQIAQVRHOQLKW-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO2
- Average molar mass
- 145.54 g/mol
- Monoisotopic mass
- 144.9930561
Names & identifiers
- Preferred name
- Maleimide, N-chloromethyl-
- IUPAC
- 1-(chloromethyl)pyrrole-2,5-dione
- English name
- 1-(Chloromethyl)-1H-pyrrole-2,5-dione
- Molecular formula
- C5H4ClNO2
- Molecular weight
- 145.54
Names & synonyms
MALEIMIDE, N-CHLOROMETHYL-7685-96-3N-Chloromethylmaleimide1H-Pyrrole-2,5-dione, 1-(chloromethyl)-BRN 0115740AI3-61980DTXSID702276614-21-00-04637 (Beilstein Handbook Reference)RefChem:351808DTXCID201501521-(chloromethyl)pyrrole-2,5-dione1-(chloromethyl)-1H-pyrrole-2,5-dione
Show more names
N-(Chloromethyl)maleimide
1-(chloromethyl)-2,5-dihydro-1H-pyrrole-2,5-dioneSCHEMBL4813241AKOS006385709
Database identifiers
- CAS
7685-96-3- PubChem CID
- 24359
- DTXSID
DTXSID70227661- Nikkaji
- J171.278K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 242 · 242.0±23.0 °C(Predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
- pka
- -2.72 · -2.72±0.20(Predicted)
Chemistry & industry
Suppliers2 total
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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