1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

HCID 80893CAS 6422-83-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O
InChIKey: FJKKJQRXSPFNPM-UHFFFAOYSA-N
Molecular formula: C15H10N2O4
Average molar mass: 282.25 g/mol
Monoisotopic mass: 282.0640568

Names & identifiers

Preferred name: 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-
IUPAC: 1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione
English name: N,N'-(4-Methyl-1,3-phenylene)bismaleimide
Molecular formula: C15H10N2O4
Molecular weight: 282.25

Names & synonyms

6422-83-92,4-Bismaleimidotoluenen,n'-(4-methyl-1,3-phenylene)bismaleimide1,1'-(4-Methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione2,4-DimaleimidotolueneToluene-2,4-bismaleimideBismaleimide, 2,4-toluene2,4-Tolylenebis(maleimide)N,N'-2,4-Toluenebismaleimide1,3-Bismaleimide-4-methylbenzeneEINECS 229-175-31H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

Show more names

TOLUENEDIAMINEBISMALEIMIDEn,n’-2,4-toluenebismaleimide

BRN 1544474AI3-51358Maleimide, N,N'-(4-methyl-m-phenylene)di-RefChem:439187229-175-3TOLUENE-2,4-DIMALEIMIDE1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione1,1'-(4-Methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)

Database identifiers

CAS: 6422-83-9
PubChem CID: 80893
DTXSID: DTXSID6052326
ChEMBL: CHEMBL4559218
UNII: 8W8HD77SDP
EC Number: 229-175-3
Nikkaji: J207.036G

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 556

Experimental & physicochemical properties

Collision Cross Section163.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6052326]

Physicochemical properties

Boiling point: 424.87 °C · 424.87°C (rough estimate)
Density: 1.2683 · 1.2683 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.5906 · 1.5906 (estimate)
pka: -1.29 · -1.29±0.20(Predicted)
Water Solubility: 60 mg/L · 60mg/L at 20℃
LogP: -0.004 at · -0.004 at 25℃
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis- (6422-83-9)
Symbol(GHS): 9 · GHS09,GHS05,GHS06
Signal word: Danger
Hazard statements: 330 · H330-H410-H318-H317
Precautionary statements: 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Hazard Codes: T+
Risk Statements: 26 · 26-36/37/38
Safety Statements: 22 · 22-26-36/37/39-45
RIDADR: 2811 · 2811
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(a)
PackingGroup: I
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

Hazard information

Regulatory Information · 2 items

Chemical: 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

Status: Active Update: 13-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24680

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (93%)

Acute toxicity - category 2

Safety data

tsca: TSCA listed
ridadr: 2811
risk_code: 26-36/37/38
Signal word: Danger
Symbol(GHS): GHS09,GHS05,GHS06
hazard_code: T+
safety_code: 22-26-36/37/39-45
hazard_class: 6.1(a)
packing_group: I
Hazard statements: H330-H410-H318-H317
REACH Registrations: Active
Precautionary statements: P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501