2,6-Dibromobenzoic acid
Grundinformationen
- CAS
601-84-3- Standard-SMILES
O=C(O)c1c(Br)cccc1Br- InChIKey
HQLOEBRPCVIFCT-UHFFFAOYSA-N- Summenformel
- C7H4Br2O2
- Durchschnittliche Molmasse
- 279,91 g/mol
- Monoisotopische Masse
- 277,8578
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dibromobenzoic acid
- IUPAC
- 2,6-dibromobenzoic acid
- Englischer Name
- 2,6-DIBROMOBENZOIC ACID
- Summenformel
- C7H4Br2O2
- Molmasse
- 279.91
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
601-84-3- PubChem CID
- 4400143
- DTXSID
DTXSID40870668- EC Number
- 835-540-3
- Nikkaji
- J95.575B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 · 151-152℃
- Siedepunkt
- 333.4 · 333.4±32.0 °C(Predicted)
- Dichte
- 1.9661 · 1.9661 (rough estimate)
- Brechungsindex
- 1.497 · 1.4970 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 1.5 · 1.50±0.10(Predicted)
- Farbe
- White to Light yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2916399090
Chemie und Industrie
Anwendungen
Verwenden2,6-Dibromobenzoic Acid is a reactant used in the synthesis of a novel inhibitor of amyloid secretion.
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