HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 697605Erstellt: 26. Oktober 2026
5-Bromonaphthalene-1-carboxylic acid
5-Bromo-1-naphthoic acid · Bisacodyl Impurity 8(Nuarimol) · 5-Bromo-phthalene-1-carboxylic acid · 5-Bromo-naphthalen-1-carboxylic acid · 5-bromonaphthalene-1-carboxylic acid · 5-bromo-1-naphthalenecarboxylic acid · 1-Naphthalenecarboxylic acid, 5-bromo-
https://huagongshe.com/de/chemical/697605
Identifikatoren & physikalische Daten
| CAS No. | 16726-67-3 |
|---|
| Summenformel | C11H7BrO2 |
|---|
| Durchschnittliche Molmasse | 251,08 g/mol |
|---|
| Monoisotopische Masse | 249,96294156 g/mol |
|---|
| SMILES | O=C(O)c1cccc2c(Br)cccc12 |
|---|
| InChIKey | SZFXXNVLSUTKJF-UHFFFAOYSA-N |
|---|
| PubChem CID | 697605 |
|---|
| ChEMBL | CHEMBL3444926 |
|---|
| EC No. | 836-590-9 |
|---|
| DTXSID | DTXSID80351320 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|
| Polarare Oberfläche (TPSA) | 37,3 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 229 |
|---|
| Schmelzpunkt | 261°C |
|---|
| Siedepunkt | 421.2±18.0 °C(Predicted) |
|---|
| Dichte | 1.5480 (rough estimate) |
|---|
| Brechungsindex | 1.5845 (estimate) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| pKa (Säurekonstante) | 3.09±0.10(Predicted) |
|---|
| InChI | InChI=1S/C11H7BrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14) |
|---|
| InChIKey | SZFXXNVLSUTKJF-UHFFFAOYSA-N |
|---|
| SMILES | C1(C(O)=O)=C2C(C(Br)=CC=C2)=CC=C1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
|---|
