HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 88069Erstellt: 27. Oktober 2026
4-Methylphthalsureanhydrid
5-METHYLISOBENZOFURAN-1,3-DIONE · Ethyl-2-benzofuran · 4-Methylphthalic · 4-Methylphthalic anh · Resorcinol dibenzoate · 4-Methylphalic Anhydride · 4-METHYLPHTHALIC ANHYDRIDE · 4-MethylphthalicAnhydride>5-methyl-3-isobenzofurandione
https://huagongshe.com/de/chemical/88069
Identifikatoren & physikalische Daten
| CAS No. | 1938-61-0 |
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| Summenformel | C9H6O3 |
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| Durchschnittliche Molmasse | 162,14 g/mol |
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| Monoisotopische Masse | 162,03169405 g/mol |
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| SMILES | Cc1ccc2c(c1)C(=O)OC2=O |
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| InChIKey | ZOXBWJMCXHTKNU-UHFFFAOYSA-N |
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| PubChem CID | 88069 |
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| ChEMBL | CHEMBL1882541 |
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| EC No. | 243-073-6 |
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| DTXSID | DTXSID5027805 |
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| Lokaler Name | 4-Methylphthalsureanhydrid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 234 |
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| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
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| Physical Description | Off-white to tan chips[Acros Organics MSDS] |
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| Schmelzpunkt | 90-92 °C(lit.) |
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| Siedepunkt | 295 °C(lit.) |
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| Dichte | 1.2599 (rough estimate) |
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| Brechungsindex | 1.5380 (estimate) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | Flakes or Crystalline Powder |
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| Farbe | White to yellow-orange |
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| Löslichkeit | insoluble |
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| Henry-Konstante | 1.4×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
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| InChI | InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3 |
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| InChIKey | ZOXBWJMCXHTKNU-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=C(C)C=C2)C(=O)O1 |
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| CAS Datenbank | 19438-61-0(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-Methylphthalic anhydride(19438-61-0) |
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| EPA chemische Informationen | 1,3-Isobenzofurandione, 5-methyl- (19438-61-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | An irritant[Acros Organics MSDS] See Phthalic anhydride, Tetrahydromethylphthalic anhydride, and Methyltetrahydrophthalic anhydride. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
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| Unerwünschte Wirkungen | Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29173990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39-36-36/37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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