HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 136906Erstellt: 27. Oktober 2026
Cyclohexane-1,1-dicarboxylic acid
Praziquantel Impurity 13 · Cyclohexane-1,1-dicarboxylic acid · 1,1-Cyclohexanedicarboxylic acid, 95% · 1,1-Cyclohexanedicarboxylic acid, 95%, · Thieno[2,3-c]pyridine-3-carboxylicacid,2-amino-4,5,6,7-tetrahydro-10-(phenylmethyl)-,ethylester
https://huagongshe.com/de/chemical/136906
Identifikatoren & physikalische Daten
| CAS No. | 1127-08-8 |
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| Summenformel | C8H12O4 |
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| Durchschnittliche Molmasse | 172,18 g/mol |
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| Monoisotopische Masse | 172,07355886 g/mol |
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| SMILES | O=C(O)C1(C(=O)O)CCCCC1 |
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| InChIKey | QYQADNCHXSEGJT-UHFFFAOYSA-N |
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| PubChem CID | 136906 |
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| EC No. | 681-306-7 |
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| DTXSID | DTXSID40150139 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 187 |
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| Schmelzpunkt | 175.5-176.5°C |
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| Siedepunkt | 375.4±25.0 °C(Predicted) |
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| Dichte | 1.330±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.61±0.20(Predicted) |
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| InChI | 1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12) |
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| InChIKey | QYQADNCHXSEGJT-UHFFFAOYSA-N |
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| SMILES | OC(=O)C1(CCCCC1)C(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 3 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. 3 (90.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| R-Sätze (R) | 25-36/37/38 |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 26-36/37-45 |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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