4-Bromo-3,5-difluorobenzaldehyde
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Grundinformationen
- CAS
135564-22-6- Standard-SMILES
O=Cc1cc(F)c(Br)c(F)c1- InChIKey
OJWOCKKFJDJGFP-UHFFFAOYSA-N- Summenformel
- C7H3BrF2O
- Durchschnittliche Molmasse
- 221 g/mol
- Monoisotopische Masse
- 219,93353
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-3,5-difluorobenzaldehyde
- IUPAC
- 4-bromo-3,5-difluorobenzaldehyde
- Englischer Name
- 4-BroMo-3,5-difluorobenzaldehyde
- Summenformel
- C7H3BrF2O
- Molmasse
- 221
Namen und Synonyme
4-Bromo-3,5-difluorobenzaldehyde135564-22-6DTXSID90634196RefChem:290800DTXCID70584948820-826-2MFCD166590854-Bromo-3,5-difluoro-benzaldehydeBenzaldehyde, 4-bromo-3,5-difluoro-SCHEMBL6735248OJWOCKKFJDJGFP-UHFFFAOYSA-NKFA56422
Weitere Namen anzeigen
CL9361AKOS023127064DS-10155SY259223DB-063085CS-0067534F069433
Datenbank-Bezeichner
- CAS
135564-22-6- PubChem CID
- 23443785
- DTXSID
DTXSID90634196- EC Number
- 820-826-2
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 141
Physikochemische Eigenschaften
- Siedepunkt
- 229.1 · 229.1±40.0 °C(Predicted)
- Dichte
- 1.758 · 1.758±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- Farbe
- Light yellow to dark orange
- InChI
- InChI=1S/C7H3BrF2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-3H
- InChIKey
- OJWOCKKFJDJGFP-UHFFFAOYSA-N
- SMILES
- C1C(F)=C(Br)C(F)=CC=1C=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): 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 (100%): 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 2 reports by companies from 2 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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2913000090
Chemie und Industrie
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