HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736209Erstellt: 27. Oktober 2026
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
AKOS BRN-0112 · RARECHEM AH PB 0101 · 2,4-Dimethoxypyrimidine-5-Boro · 5-Borono-2,3-dimethoxypyrimidine · 2,4-Dimethoxy-pyrimidine-5-boric acid · 2,4-Dimethoxyprimidine-5-boronic acid · 2,4-DIMETHOXYPRYIMIDINE-5-BORONIC ACID · 2,4-Dimethoxy-5-Pyrimidine boronic acid
https://huagongshe.com/de/chemical/2736209
Identifikatoren & physikalische Daten
| CAS No. | 89641-18-9 |
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| Summenformel | C6H9BN2O4 |
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| Durchschnittliche Molmasse | 183,96 g/mol |
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| Monoisotopische Masse | 184,06553717 g/mol |
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| SMILES | COc1ncc(B(O)O)c(OC)n1 |
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| InChIKey | LKGKUACPLXCVOF-UHFFFAOYSA-N |
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| PubChem CID | 2736209 |
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| EC No. | 672-292-3 |
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| DTXSID | DTXSID301008905 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 84,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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| Schmelzpunkt | 113-117 °C |
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| Siedepunkt | 420.6±55.0 °C(Predicted) |
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| Dichte | 1.33±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 5.62±0.58(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| InChI | InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3 |
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| InChIKey | LKGKUACPLXCVOF-UHFFFAOYSA-N |
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| SMILES | B(C1=CN=C(OC)N=C1OC)(O)O |
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| CAS Datenbank | 89641-18-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): 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 5 reports by companies from 4 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 (20%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933599590 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Gefahrenklasse | IRRITANT, KEEP COLD |
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| Lagerklasse | 11 - Combustible Solids |
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