Basic information
- CAS
1193-54-0- Standard SMILES
O=C1NC(=O)C(Cl)=C1Cl- InChIKey
KVBAKSQRUXXHCK-UHFFFAOYSA-N- Molecular formula
- C4HCl2NO2
- Average molar mass
- 165.96 g/mol
- Monoisotopic mass
- 164.9384337
Overview
3,4-Dichloro-5-hydroxy-2H-pyrrol-2-one is a nitrogen mustard.
Names & identifiers
- Preferred name
- 3,4-Dichloro-2,5-dihydro-1H-pyrrole-2,5-dione
- IUPAC
- 3,4-dichloropyrrole-2,5-dione
- English name
- 3,4-DICHLOROMALEINIMIDE
- Molecular formula
- C4HCl2NO2
- Molecular weight
- 165.96
Names & synonyms
3,4-dichloro-2,5-dihydro-1H-pyrrole-2,5-dioneRefChem:485873873-408-71193-54-03,4-Dichloro-1H-pyrrole-2,5-dioneDichloromaleimide3,4-dichloropyrrole-2,5-dione3,4-DICHLOROMALEINIMIDEDichloromaleinimide3,4-Dichloromaleimide1H-Pyrrole-2,5-dione, 3,4-dichloro-MFCD01716135
Show more names
Aids018375Aids-0183753,4-Dichloro-3-pyrroline-2,5-dione
alpha, beta-Dichloromaleimide6G6K57D4OTC4HCl2NO2MALEIMIDE, DICHLORO-CCRIS 75212,3-dichloromaleimideMaleimide, 2,3-dichloro-BRN 0120989
Database identifiers
- CAS
1193-54-0- PubChem CID
- 14513
- DTXSID
DTXSID30152405- ChEBI
CHEBI:184738- UNII
- 6G6K57D4OT
- EC Number
- 873-408-7
- Nikkaji
- J54.922C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Melting Point175 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 232.9 · 232.9±40.0 °C(Predicted)
- Density
- 1.4206 · 1.4206 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 4.69 · 4.69±0.60(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 1193 · 1193-54-0
- FDA UNII
- 6 G6K57D4OT · 6G6K57D4OT
- Symbol(GHS)
- 7 · GHS07
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.
Safety data
- Toxicity
- mouse,LD50,intraperitoneal,31mg/kg (31mg/kg),Archives of Toxicology. Vol. 37, Pg. 15, 1976.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses3,4-Dichloro-1H-pyrrole-2,5-dione is used in the synthesis of N-aryl- and N-aralkylmaleimides which possesses anti-bacterial properties against Escherichia coli and Staphylococcus aureus.
Suppliers20 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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