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1,2,3,6-Tetrahydrophthalsureanhydrid
TETRAHYDROPHTHALIC ANHYDRIDE · tetrahydrophthalic · thpa[qr] · rikacidth[qr] · Tetrahydroftalanhydrid · 1,2,3,6-TetrahydrophthaL · 3,6-Cyclopropylene-ΔTetrahydrophthalsureanhydrid · anhydridetetrahydrophtalique
Identifikatoren & physikalische Daten
| CAS No. | 13149-03-6 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | O=C1OC(=O)C2CC=CCC12 |
| InChIKey | KMOUUZVZFBCRAM-UHFFFAOYSA-N |
| PubChem CID | 6810 |
| ChEMBL | CHEMBL8001 |
| ChEBI | CHEBI:180650 |
| EC No. | 201-605-4 |
| DTXSID | DTXSID3026516 |
| Lokaler Name | 1,2,3,6-Tetrahydrophthalsureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 218 |
| Stoffklassen | Corrosives |
| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
| SpringerMaterials Properties | Fusion temperature |
| Dichte | 1.20 at 105 °C1.4 g/cm³1.2 @ 105°C1,375 g/cm3 |
| Color/Form | White crystalline powder |
| Löslichkeit | Slightly soluble in petroleum ether and ethyl ethersoluble in benzeneSolubility in water, g/l at 20 °C: 29.4 (reaction)soluble in DCM, Ethyl Acetate, Toluene29.4g/L at 20℃ |
| Flammpunkt | 315 °F (157 °C) Open cup157 °C o.c.157°C |
| Siedepunkt | at 6.7kPa: 195 °C195°C 5mm |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Schmelzpunkt | Crystals from petroleum ether. MP: 103.5 °C. Soluble in ethanol, acetone, chloroform, benzeneslightly soluble in petroleum ether. /cis-1,2,3,6-Tetrahydrophthalic anhydride/102 °C101-102°C |
| Dampfdichte | Relative vapor density (air = 1): 5.3 |
| Dampfdruck | 0.05 [mmHg]Vapor pressure, Pa at 20 °C: 10.057 [mm Hg] @25 °C0.021Pa at 20℃ |
| Brechungsindex | 1.4810 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.84[at 20 ℃] |
| Farbe | Off-White to Light Tan |
| pH | 2.1 (20°C, 10g/L in H2O) |
| InChI | 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2 |
| InChIKey | KMOUUZVZFBCRAM-UHFFFAOYSA-N |
| SMILES | O1C(=O)C2C(CC=CC2)C1=O |
| LogP (Verteilungskoeffizient) | 1.29 at 40℃ |
| CAS Datenbank | 85-43-8(CAS DataBase Reference) |
| EPA chemische Informationen | Tetrahydrophthalic anhydride (85-43-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-Chemical: 1,3-Isobenzofurandione, tetrahydro-Hazard Traits - Respiratory Toxicity1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro- 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: 10-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14373 |
| Weitere Sicherheitsinformationen | IMAP assessments - Tetrahydrophthalic anhydrides and analogues: Human health tier II assessment |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily.Combustible. Finely dispersed particles form explosive mixtures in air. |
| Brandpotenzial | Combustible when exposed to heat of flame. |
| Gesundheitsgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Gefahrenübersicht | Decomposed by hot surfaces or flames forming corrosive vaporsReacts with water evolving heat and tetrahydrophthalic acid |
Anwendungen & Verwendung
Verwenden
Chemical intermediate for light-colored alkyds, polyesters, plasticizers, and adhesives; intermediate for pesticides; hardener for resins.