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2,3-Dichloro-N-methylmaleimide

HCID 14293
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Basic information

CAS
1123-61-1
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 Ų
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

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 · 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

Related reactions

17 records
New reaction record
HRID 54015 reaction equation
HRID 54015As productuspto-grants-1997_04
HRID 55440 reaction equation
HRID 55440As productuspto-grants-1997_04
HRID 342903 reaction equation
HRID 342903As productuspto-grants-1999_01
HRID 399672 reaction equation
HRID 399672As productuspto-grants-1998_10
HRID 581367 reaction equation
HRID 581367As productuspto-grants-1999_07
HRID 741662 reaction equation
HRID 741662As productuspto-grants-1996_09
HRID 822362 reaction equation
HRID 822362As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 862741 reaction equation
HRID 862741As productuspto-grants-1998_02
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Compound notes

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