3,5-Dibromobenzaldehyde
Grundinformationen
- CAS
56990-02-4- Standard-SMILES
O=Cc1cc(Br)cc(Br)c1- InChIKey
ZLDMZIXUGCGKMB-UHFFFAOYSA-N- Summenformel
- C7H4Br2O
- Durchschnittliche Molmasse
- 263,91 g/mol
- Monoisotopische Masse
- 261,86289
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Dibromobenzaldehyde
- IUPAC
- 3,5-dibromobenzaldehyde
- Englischer Name
- 3,5-Dibromobenzaldehyde
- Summenformel
- C7H4Br2O
- Molmasse
- 263.91
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
56990-02-4- PubChem CID
- 622077
- DTXSID
DTXSID80347485- EC Number
- 611-441-9
- Nikkaji
- J1.799.188D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 117
Physikochemische Eigenschaften
- Schmelzpunkt
- 84 · 84-88 °C (lit.)
- Siedepunkt
- 287.2 · 287.2±20.0 °C(Predicted)
- Dichte
- 1.977 · 1.977±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- soluble in DMSO, Ethyl Acetate, Methanol
- Aggregatzustand
- Powder or Crystals
- Farbe
- White to light beige
- Wasserlöslichkeit
- insoluble
- BRN
- 2573432 · 2573432
- InChI
- InChI=1S/C7H4Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
- InChIKey
- ZLDMZIXUGCGKMB-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(Br)=CC(Br)=C1
- CAS Datenbank
- 56990 · 56990-02-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (85.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 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
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29130000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- Ⅱ
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden3,5-Dibromobenzaldehyde is a dibrominated benzaldehyde that is a very useful building block for the preparation of a wide range of biologically active compounds such as a antibacterials. The non-AIE active compound 3,5-dibromobenzaldehyde (DBB) could be used as the core to synthesize AIE luminogens, which differs from the traditional synthetic methods that are heavily dependent on the AIE active core. The three obtained DBB derivatives (S1, S2 and S3) displayed typical AIE features in which the quantum efficiencies of the solid film state were much higher than their solution state. The emission of these DBB derivatives could be fine-tuned by varying the substituents on the DBB rings[1].
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