Grundinformationen
- Standard-SMILES
O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1- InChIKey
IPJGAEWUPXWFPL-UHFFFAOYSA-N- Summenformel
- C14H8N2O4
- Durchschnittliche Molmasse
- 268,22 g/mol
- Monoisotopische Masse
- 268,04840674
Namen und Bezeichner
- Bevorzugter Name
- N,N'-1,3-Phenylenedimaleimide
- IUPAC
- 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
- Lokaler Name
- 1,1'-(1,3-Phenylen)bis-1H-pyrrol-2,5-dion
- Englischer Name
- N,N'-1,3-Phenylene bismaleimide
- Summenformel
- C14H8N2O4
- Molmasse
- 268.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3006-93-7- PubChem CID
- 18156
- DTXSID
DTXSID3044415- ChEMBL
CHEMBL573689- UNII
- MD8KF155CT
- EC Number
- 221-112-8
- Nikkaji
- J12.979H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 480
Experimentelle und physikochemische Eigenschaften
Physical Description
Dry Powder; Wet Solid
Yellow powder; [Aldrich MSDS] Yellow to light brown odorless powder; [R.T. Vanderbilt MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 · 198-201 °C(lit.)
- Siedepunkt
- 411.39 °C · 411.39°C (rough estimate)
- Dichte
- 1.314 · 1.3140 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.591 · 1.5910 (estimate)
- Flammpunkt
- 208 ℃ · >208℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.67 · -1.67±0.20(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- Light yellow to Brown to Dark green
- Wasserlöslichkeit
- negligible soluble
- InChI
- InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H
- InChIKey
- IPJGAEWUPXWFPL-UHFFFAOYSA-N
- SMILES
- C1(N2C(=O)C=CC2=O)=CC=CC(N2C(=O)C=CC2=O)=C1
- LogP
- 0.67 at · 0.67 at 24℃
- CAS Datenbank
- 3006 · 3006-93-7(CAS DataBase Reference)
- EPA chemische Informationen
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis- (3006-93-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (7 of 872) of reports.
Danger
H302 (88.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 872 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-
1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22193
1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
May cause irritation; Harmful by ingestion; Highly toxic by inhalation; Toxic by skin absorption; [Aldrich MSDS] Dust may form combustible mixtures with air; A severe eye irritant (may have corrosive effects); May cause skin sensitization; May be fatal by inhalation; [R.T. Vanderbilt MSDS] May cause permanent eye injury; May cause skin sensitization; Inhalation may cause altered respiratory rate, delayed lung injury, or death; Contains less than 3% petroleum distillates that cause skin irritation; [DuPont Performance Elastomers MSDS]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 38220090
- RTECS-Nr.
- ON6125000
- risk_code
- 23/24/25-36/37/38-26-22
- Toxizität
- LD50 oral in rat: 1370mg/kg
- hazard_code
- T,Xi,T+
- hazard_note
- Irritant
- safety_code
- 27-28-36/37/39-45-38-28A
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an elastomer curing adjuvant; [R.T. Vanderbilt MSDS]
Should not be used in medical applications that result in permanent implantation in the human body; [DuPont Performance Elastomers MSDS]
Plastic Composites Manufacturing [Category: Industry]
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-: ACTIVE
Anwendungen
VerwendenN,N'-1,3-Phenylene bismaleimide and sulfur coordination to prevent reversion to improve the heat resistance, reduce heat, anti-aging, improve adhesion of the rubber and tire cord and vulcanized rubber modulus.PDM is a non-sulfur vulcanizing agents solve copper wire and copper electrical contacts because of sulfur vulcanizing agent to generate black copper sulfide pollution problems.
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