HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 33125Erstellt: 27. Oktober 2026
2-Bromo-6-chlorobenzoic acid
3-bromo-2-chloro-benzoic acid · AKOS MSC-0781 · BUTTPARK 51\01-28 · 2-Bromo-6-chlorobenzoicaci · 6-bromo-2-chloroBenzoic acid · 2-BROMO-6-CHLOROBENZOIC ACID · Benzoic acid, 2-broMo-6-chloro- · 2-Bromo-6-chlorobenzoic acid, CAS 93224-85-2
https://huagongshe.com/de/chemical/33125
Identifikatoren & physikalische Daten
| CAS No. | 93224-85-2 |
|---|
| Summenformel | C7H4BrClO2 |
|---|
| Durchschnittliche Molmasse | 235,46 g/mol |
|---|
| Monoisotopische Masse | 233,90832 g/mol |
|---|
| SMILES | O=C(O)c1c(Cl)cccc1Br |
|---|
| InChIKey | URGXUQODOUMRFP-UHFFFAOYSA-N |
|---|
| PubChem CID | 33125 |
|---|
| EC No. | 622-296-6 |
|---|
| DTXSID | DTXSID40275018 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 37,3 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 163 |
|---|
| Schmelzpunkt | 148-152 °C |
|---|
| Siedepunkt | 315.9±27.0 °C(Predicted) |
|---|
| Dichte | 1.809±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
|---|
| pKa (Säurekonstante) | 1.62±0.10(Predicted) |
|---|
| Aggregatzustand | powder to crystal |
|---|
| Farbe | White to Orange to Green |
|---|
| InChI | 1S/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
|---|
| InChIKey | URGXUQODOUMRFP-UHFFFAOYSA-N |
|---|
| SMILES | OC(=O)c1c(Cl)cccc1Br |
|---|
| CAS Datenbank | 93224-85-2(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (87%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (87%) |
|---|
| Wassergefährdungsklasse (WGK) | 2 |
|---|
| UN-Transportnummer | 2811 |
|---|
| Zollcode | 2916399090 |
|---|
| R-Sätze (R) | 25-36/37/38 |
|---|
| Gefahrensymbole | Xi,T |
|---|
| Sicherheitshinweise (S) | 26-45 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
| Verpackungsgruppe | Ⅲ |
|---|
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
|---|
