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1-(4-(1H-Benzimidazol-2-yl)phenyl)-1H-pyrrole-2,5-dione

HCID 117909
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Basic information

CAS
27030-97-3
Standard SMILES
O=C1C=CC(=O)N1c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIKey
NZDOXVCRXDAVII-UHFFFAOYSA-N
Molecular formula
C17H11N3O2
Average molar mass
289.29 g/mol
Monoisotopic mass
289.0851266

Names & identifiers

Preferred name
1-(4-(1H-Benzimidazol-2-yl)phenyl)-1H-pyrrole-2,5-dione
IUPAC
1-[4-(1H-benzimidazol-2-yl)phenyl]pyrrole-2,5-dione
English name
N-[4-(2-Benzimidazolyl)phenyl]maleimide
Molecular formula
C17H11N3O2
Molecular weight
289.29

Names & synonyms

N-[4-(2-Benzimidazolyl)phenyl]maleimide27030-97-3N-(4-(2-Benzimidazolyl)phenyl)maleimideN-(p-(2-Benzimidazolyl)phenyl)maleimide464U78G56EDTXSID40672741H-Pyrrole-2,5-dione, 1-(4-(1H-benzimidazol-2-yl)phenyl)-1H-Pyrrole-2,5-dione, 1-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-(1H-Benzimidazol-2-yl)phenyl)-1H-pyrrole-2,5-dioneBIPM cpdBP-MALRefChem:162031
Show more names
BIPMN-[p-(2-Benzimidazolyl)phenyl]maleimideN-[4-(2-Benzimidazolyl)phenyl]maleimide >N-[p-(1H-Benzimidazol-2-yl)phenyl]maleimideN-[4-(1H-Benzimidazole-2-yl)phenyl]maleimideN-[p-(2-Benzimidazolyl)phenyl]maleimide[BIPM]1-[4-(1h-benzimidazol-2-yl)phenyl]-1h-pyrrole-5-dione1-[4-(1H-benzimidazol-2-yl)phenyl]-1H-pyrrole-2,5-dione
DTXCID5037608N-(p-(benzimidazol-2-yl)phenyl)maleimide248-173-3Acetylethyleneimine1-[4-(1H-benzimidazol-2-yl)phenyl]pyrrole-2,5-dione1-(4-(1H-Benzo[d]imidazol-2-yl)phenyl)-1H-pyrrole-2,5-dioneMFCD000427671-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

Database identifiers

CAS
27030-97-3
PubChem CID
117909
DTXSID
DTXSID4067274
UNII
464U78G56E
EC Number
248-173-3
Nikkaji
J208.100H

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
478

Physicochemical properties

Melting point
247 °C · 247 °C
Boiling point
556.3 · 556.3±52.0 °C(Predicted)
Density
1.437 · 1.437±0.06 g/cm3(Predicted)
pka
11.22 · 11.22±0.10(Predicted)
form
powder to crystal
color
Light yellow to Amber
FDA UNII
464 U78G56E · 464U78G56E
EPA Substance Registry System
1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-[4-(1H-benzimidazol-2-yl)phenyl]- (27030-97-3)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety Statements
22 · 22-24/25
WGK Germany
3 · 3
F
8 · 8-10-21

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Safety data

F
8-10-21
wgk
3
tsca
TSCA listed
hs_code
2933.99.8210
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Uses & manufacturing

General Manufacturing Information1H-Pyrrole-2,5-dione, 1-[4-(1H-benzimidazol-2-yl)phenyl]-: INACTIVE

Applications

UsesN-[4-(2-Benzimidazolyl)phenyl]maleimide (cas# 27030-97-3) is used for manufacturing multilayer optical sheet for smart electronic board.

Related reactions

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Compound notes

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TSCA
TSCA listed
HS Code
2933.99 · 2933.99.8210