HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4,5,6-Tetrahydrophthalsaeureanhydrid
TMMA · 1-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE · 3,4,5,6-TETRAHYDROPHTHALIC ANHYDRIDE, 95 % · 3,4,5,6-THPA · TIMTEC-BB SBB007696 · 3,4,5,6-Tetrahydroph · 3,4,5,6-TetrahydrophthaL · Tetrahydrophthalic acid anhydride
Identifikatoren & physikalische Daten
| CAS No. | 2426-02-0 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | O=C1OC(=O)C2=C1CCCC2 |
| InChIKey | HMMBJOWWRLZEMI-UHFFFAOYSA-N |
| PubChem CID | 12475 |
| EC No. | 219-374-3 |
| DTXSID | DTXSID9075298 |
| Lokaler Name | 3,4,5,6-Tetrahydrophthalsaeureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 237 |
| SpringerMaterials Properties | Chemical shift |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 69-73 °C(lit.) |
| Siedepunkt | 234.6°C (rough estimate) |
| Dichte | 1.2000 |
| Brechungsindex | 1.4447 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly, Sonicated), DMSO (Sparingly)REACTS |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to cream |
| BRN | 136335 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2 |
| InChIKey | HMMBJOWWRLZEMI-UHFFFAOYSA-N |
| SMILES | O=C1OC(=O)C2=C1CCCC2 |
| CAS Datenbank | 2426-02-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Cyclohexene-1,2-dicarboxylic anhydride(2426-02-0) |
| EPA chemische Informationen | 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro- (2426-02-0) |
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)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | Hazard Traits - Respiratory ToxicityPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Tetrahydrophthalic anhydride: 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. |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Eye damage - category 1Eye Dam. 1 |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2698 |
| Zollcode | 29173990 |
| R-Sätze (R) | 36/37/38-52/53-42/43-41 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-61-37/39-24-22 |
| Gefahrenklasse | 8Aquatic Chronic 3Eye Dam. 1Resp. Sens. 1Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4,5,6-Tetrahydrophthalic Anhydride is useful in the synthesis and biological evaluation of 6-hydroxypyridazinone benzisoxazoles as an atypical antipsychotics.