HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
8,9,10-Trinorborn-5-en-2,3-dicarbonsure
BICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ACID · cis-5-Norbornene-endo-2,3-dicarboxylic acid 98% · (2R,3S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid · Nadic acid · 5-Norbornene-2 · Einecs 223-301-0 · 3-dicarboxylic acid · CIS,ENDO-BICYCLO[2.2.1]-5-
Identifikatoren & physikalische Daten
| CAS No. | 1200-88-0 |
|---|---|
| Summenformel | C9H10O4 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,0579088 g/mol |
| SMILES | O=C(O)C1C2C=CC(C2)C1C(=O)O |
| InChIKey | NIDNOXCRFUCAKQ-UHFFFAOYSA-N |
| PubChem CID | 97965 |
| ChEMBL | CHEMBL8162 |
| EC No. | 223-301-0 |
| DTXSID | DTXSID80871593 |
| Lokaler Name | 8,9,10-Trinorborn-5-en-2,3-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 266 |
| Stoffklassen | Other Classes -> Organic Acids |
| Physical Description | White powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 175 °C (dec.)(lit.) |
| Siedepunkt | 275.56°C (rough estimate) |
| Dichte | 1.2481 (rough estimate) |
| Brechungsindex | 1.4345 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.91±0.40(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| InChI | 1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7+ |
| InChIKey | NIDNOXCRFUCAKQ-UMRXKNAASA-N |
| SMILES | OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@@H]1C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2917399590 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Norbornene-2,3-dicarboxylic acid is used to prepare cyclic olefin copolymers and is also an important raw material for the synthesis of the antidepressant drug lurasidone.