HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 816765Erstellt: 26. Oktober 2026
3-Bromo-4-methylbenzaldehyde
3-Bromo-p-tolualdehyde · 3-BROMO-4-METHYLBENZALDEHYDE · 3-bromo-4-methyl Benzalehyde · benzaldehyde, 3-bromo-4-methyl- · 3-Bromo-4-methylbenzaldehyde 97% · JR-13806, 3-Bromo-4-methylbenzaldehyde, 97% · 3-bromo-4-methylbenzaldehyde(SALTDATA: FREE)
https://huagongshe.com/de/chemical/816765
Identifikatoren & physikalische Daten
| CAS No. | 36276-24-1 |
|---|
| Summenformel | C8H7BrO |
|---|
| Durchschnittliche Molmasse | 199,04 g/mol |
|---|
| Monoisotopische Masse | 197,96802694 g/mol |
|---|
| SMILES | Cc1ccc(C=O)cc1Br |
|---|
| InChIKey | WTXXUAHMTVAQHW-UHFFFAOYSA-N |
|---|
| PubChem CID | 816765 |
|---|
| EC No. | 694-591-8 |
|---|
| DTXSID | DTXSID80355702 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 124 |
|---|
| Schmelzpunkt | 47-52℃ |
|---|
| Siedepunkt | 79-86 °C(Press: 0.5 Torr) |
|---|
| Dichte | 1.490±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| Farbe | White to Almost white |
|---|
| InChI | InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
|---|
| InChIKey | WTXXUAHMTVAQHW-UHFFFAOYSA-N |
|---|
| SMILES | C(=O)C1=CC=C(C)C(Br)=C1 |
|---|
| CAS Datenbank | 36276-24-1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 2913000090 |
|---|
| R-Sätze (R) | 22-36/37/38-43 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
