1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione

HCID 81734

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Basic information

CAS: 7300-91-6
Standard SMILES: O=C1C=CC(=O)N1c1ccc(O)cc1
InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
Molecular formula: C10H7NO3
Average molar mass: 189.17 g/mol
Monoisotopic mass: 189.04259308

Names & identifiers

Preferred name: 1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione
IUPAC: 1-(4-hydroxyphenyl)pyrrole-2,5-dione
English name: 4-Maleimidophenol
Molecular formula: C10H7NO3
Molecular weight: 189.17

Names & synonyms

1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dioneEINECS 230-750-61H-pyrrole-2,5-dione, 1-(4-hydroxyphenyl)-DTXSID90223286NSC 39735NSC 148152RefChem:425669DTXCID90145777230-750-6InChI=1/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,127300-91-64-maleimidophenol

Show more names

N-(4-HYDROXYPHENYL) MALEIMIDESKL6974-maleimide phenol4-(Maleimide-N-yl)phenol4-Maleimidophenol(4-HPM)7300-91-6 4-MaleimidophenolN-(p-Hydroxyphenyl)maleimideN-(4-hydroxylphenyl)maleimide

N-(4-Hydroxyphenyl)maleimide1-(4-hydroxyphenyl)pyrrole-2,5-dione1-(4-Hydroxyphenyl)-2,5-dioxo-pyrroleMFCD001291671-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1-(4-Hydroxy-phenyl)-pyrrole-2,5-dioneN-4-hydroxyphenyl maleimide1-(4-Hydroxyphenyl)maleimide

Database identifiers

CAS: 7300-91-6
PubChem CID: 81734
DTXSID: DTXSID90223286
ChEMBL: CHEMBL565893
UNII: GX66DA3FXR
EC Number: 230-750-6
Nikkaji: J212.299E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 272

Physicochemical properties

Melting point: 154 · 154-155 °C
Boiling point: 397 · 397.0±25.0 °C(Predicted)
Density: 1.47 · 1.470±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.3 · 9.30±0.26(Predicted)
color: Yellow to Dark Orange
InChI: InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(O)C=C2)C(=O)C=CC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 305 · P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.