p-Phenylendiisocyanat
1,4-Diisocyanatobenzene
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Grundinformationen
- CAS
104-49-4- Standard-SMILES
O=C=Nc1ccc(N=C=O)cc1- InChIKey
ALQLPWJFHRMHIU-UHFFFAOYSA-N- Summenformel
- C8H4N2O2
- Durchschnittliche Molmasse
- 160,13 g/mol
- Monoisotopische Masse
- 160,02727737
Überblick
1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Diisocyanatobenzene
- IUPAC
- 1,4-diisocyanatobenzene
- Lokaler Name
- p-Phenylendiisocyanat
- Englischer Name
- 1,4-Phenylene diisocyanate
- Summenformel
- C8H4N2O2
- Molmasse
- 160.13
Namen und Synonyme
1,4-Phenylene diisocyanate1,4-Diisocyanatobenzenep-Phenylene diisocyanateBENZENE, 1,4-DIISOCYANATO-1,4-BenzenediisocyanateUNII-OKE64XZR2LOKE64XZR2LEINECS 203-207-6NSC 94776NSC-94776Phenylene-1,4-diisocyanateDTXSID3025883
Weitere Namen anzeigen
PPDI1,4-PhenyLFLURBIPROFEN USP241,4-Phenylene diisocp-phenyleneisocyanatep-phenyl diisocyanatePhenylene diisocyanat1,4-Phenyldiisocyanate
HYDROQUINONE, DIISOCYANATERefChem:73279Isocyanic acid, p-phenylene ester (6CI,7CI,8CI)DTXCID705883ALQLPWJFHRMHIU-UHFFFAOYSA-N104-49-4p-Phenylene isocyanateIsocyanic acid, p-phenylene ester
Datenbank-Bezeichner
- CAS
104-49-4- PubChem CID
- 61009
- DTXSID
DTXSID3025883- UNII
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 205
Experimentelle und physikochemische Eigenschaften
Density1.17 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Pointgreater than 210 °F (NTP, 1992)
Boiling Point500 °F at 760 mmHg (NTP, 1992)
Melting Point201 °F (NTP, 1992)
Vapor Pressureless than 0.006 mmHg at 68 °F (NTP, 1992)
Physical Description
1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)
Other Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 · 96-99 °C (lit.)
- Siedepunkt
- 260 °C · 260 °C (lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (23.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzene, 1,4-diisocyanato- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-diisocyanato- 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: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27776
Benzene, 1,4-diisocyanato-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin and eyes. It also causes sensitization of the skin and lungs.
Reactive GroupIsocyanates and Isothiocyanates
Reactivity AlertsWater-Reactive
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
Paper Manufacturing
Benzene, 1,4-diisocyanato-: ACTIVE
Anwendungen
Verwenden1,4-Phenylene diisocyanate has been used:as croos-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfacesin the synthesis of dipodal bis-urea receptor, a selective receptor for hydrogen sulfatein deposition of polyurea resists films via molecular layer deposition
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