HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 27475Erstellt: 26. Oktober 2026
3-Methylenecyclobutanecarboxylic acid
3-methylenecyclobutane-1-carboxylic acid · 3-Methylidenecyclobutane-1-carboxylic acid · RARECHEM AL BO 0919 · 3-Methylenecyclobutanecarboxylic · 3-methylene-cyclobutanecarboxylicaci · 3-METHYLENECYCLOBUTANECARBOXYLIC ACID · 3-methylidenecyclobutanecarboxylic acid · Cyclobutanecarboxylic acid, 3-Methylene-
https://huagongshe.com/de/chemical/27475
Identifikatoren & physikalische Daten
| CAS No. | 15760-36-8 |
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| Summenformel | C6H8O2 |
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| Durchschnittliche Molmasse | 112,13 g/mol |
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| Monoisotopische Masse | 112,0524295 g/mol |
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| SMILES | C=C1CC(C(=O)O)C1 |
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| InChIKey | NNKLICLIBKMDOY-UHFFFAOYSA-N |
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| PubChem CID | 27475 |
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| EC No. | 692-323-4 |
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| DTXSID | DTXSID40166295 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| Siedepunkt | 102.5-103 °C(Press: 11 Torr) |
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| Dichte | 1.12±0.1 g/cm3(Predicted) |
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| Brechungsindex | 1.46 |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 4.52±0.20(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Clear, colourless |
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| InChI | InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8) |
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| InChIKey | NNKLICLIBKMDOY-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)CC(=C)C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 22 |
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| Toxizität | mouse,LD50,intraperitoneal,500mg/kg (500mg/kg),National Technical Information Service. Vol. AD430-559, |
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| Gefahrensymbole | F,Xn |
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| Gefahrenklasse | IRRITANT |
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