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HCID 76937Erstellt: 27. Oktober 2026
4-Brom-3,5-dimethyl-1H-pyrazol
4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE · GF 12 · AKOS B001459 · AKOS PAO-1351 · BUTTPARK 47\04-31 · VITAS-BB TBB000654 · IFLAB-BB F0900-0030 · Bromo-3,5-dimethylpyrazole
https://huagongshe.com/de/chemical/76937
Identifikatoren & physikalische Daten
| CAS No. | 3398-16-1 |
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| Summenformel | C5H7BrN2 |
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| Durchschnittliche Molmasse | 175,03 g/mol |
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| Monoisotopische Masse | 173,97926032 g/mol |
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| SMILES | Cc1n[nH]c(C)c1Br |
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| InChIKey | RISOHYOEPYWKOB-UHFFFAOYSA-N |
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| PubChem CID | 76937 |
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| EC No. | 222-263-2 |
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| DTXSID | DTXSID40187586 |
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| Lokaler Name | 4-Brom-3,5-dimethyl-1H-pyrazol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 28,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 86,5 |
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| Schmelzpunkt | 123-125 °C(lit.) |
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| Siedepunkt | 269.1±35.0 °C(Predicted) |
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| Dichte | 1.595 |
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| Brechungsindex | 1.5500 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 13.83±0.50(Predicted) |
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| Farbe | White to Light yellow |
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| BRN | 108534 |
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| InChI | InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) |
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| InChIKey | RISOHYOEPYWKOB-UHFFFAOYSA-N |
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| SMILES | N1C(C)=C(Br)C(C)=N1 |
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| CAS Datenbank | 3398-16-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 41 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29331990 |
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| RTECS-Nr. | UQ6210000 |
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| R-Sätze (R) | 36/37/38 |
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| Toxizität | LD50 intraperitoneal in mouse: 580mg/kg |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANT |
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