2,3-Dichloro-N-methylmaleimide

HCID 14293CAS 1123-61-1

Substructure search Find similar structures

Basic information

Standard SMILES: CN1C(=O)C(Cl)=C(Cl)C1=O
InChIKey: PYOLPWAVSYVLMM-UHFFFAOYSA-N
Molecular formula: C5H3Cl2NO2
Average molar mass: 179.99 g/mol
Monoisotopic mass: 178.9540837

Names & identifiers

Preferred name: 2,3-Dichloro-N-methylmaleimide
IUPAC: 3,4-dichloro-1-methylpyrrole-2,5-dione
English name: 2,3-Dichloro-N-methylmaleimide
Molecular formula: C5H3Cl2NO2
Molecular weight: 179.99

Names & synonyms

2,3-Dichloro-N-methylmaleimide3,4-dichloro-1-methylpyrrole-2,5-dioneRefChem:442045601-181-41123-61-13,4-dichloro-1-methyl-1H-pyrrole-2,5-dioneDichloro-N-methylmaleimide3,4-dichloro-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dioneN-MethyldichloromaleimideN-Methyl-2,3-dichloromaleimideMaleimide, dichloro-N-methyl-N-Methyl-3,4-dichloromaleimide

Show more names

SALOR-INT L132209-1EA2,3-dichloro-n-methyl-maleimid3,4-dichloro-1-methyl-3-pyrroline-2,5-quinone

2,3-Dichloro-N-methylmaleinimideMALEIMIDE, 2,3-DICHLORO-N-METHYL-MFCD008307251H-Pyrrole-2,5-dione, 3,4-dichloro-1-methyl-3,4-dichloro-1-methyl-pyrrole-2,5-dioneNSC-222494N-Methyldichloromaleinimiden-Methyl-dichloromaleinimide

Database identifiers

CAS: 1123-61-1
PubChem CID: 14293
DTXSID: DTXSID80149981
UNII: D5ARQ6B32V
EC Number: 601-181-4
Nikkaji: J41.601K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 85 ℃ · 85℃
Boiling point: 205.7 · 205.7±40.0℃ (760 Torr)
Density: 1.63 · 1.63±0.1 g/cm3 (20 ºC 760 Torr)
refractive index: 1.61 · 1.6100 (estimate)
Flash point: 78.2 · 78.2±27.3℃
storage temp.: 2 · 2-8°C
pka: -6.23 · -6.23±0.60(Predicted)
FDA UNII: 5 ARQ6B32V · D5ARQ6B32V
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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. 2 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501