2-Chloro-5-Fluorobenzaldehyde
Grundinformationen
- CAS
84194-30-9- Standard-SMILES
O=Cc1cc(F)ccc1Cl- InChIKey
SOEFVBXUNROUOX-UHFFFAOYSA-N- Summenformel
- C7H4ClFO
- Durchschnittliche Molmasse
- 158,56 g/mol
- Monoisotopische Masse
- 157,99347065
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-5-Fluorobenzaldehyde
- IUPAC
- 2-chloro-5-fluorobenzaldehyde
- Englischer Name
- 2-Chloro-5-fluorobenzaldehyde
- Summenformel
- C7H4ClFO
- Molmasse
- 158.56
Namen und Synonyme
2-Chloro-5-Fluorobenzaldehyde84194-30-9DTXSID20381308RefChem:258934DTXCID00332333678-371-9MFCD03788511Benzaldehyde, 2-chloro-5-fluoro-2-Chloro-5-Fluoro benzaldehyde2-chloro-5-fluoro-benzaldehydeSCHEMBL18537712-Chloro-5-fluorobenZaldehyde, 95%
Weitere Namen anzeigen
2-Chloro-5-fluorobenzaldehyd2-Chloro-5-Flourobenzaldehyde2-Chloro-5-fluorobenzaldehyde >2-Chloride-5-Fluoro Benzaldehydes2-Chloro-5-fluorobenzaldehyde ISO 9001：2015 REACH
AKOS0052582575-FLUORO-2-CHLOROBENZALDEHYDESCHEMBL6212276SBB063392AC-2777CS-W003102PS-8802SY002882
Datenbank-Bezeichner
- CAS
84194-30-9- PubChem CID
- 2779184
- DTXSID
DTXSID20381308- EC Number
- 678-371-9
- Nikkaji
- J2.203.165A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Schmelzpunkt
- 46.5 · 46.5-48°C
- Siedepunkt
- 207.2 · 207.2±20.0 °C(Predicted)
- Dichte
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- Flammpunkt
- 79 ° · 79°
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- Farbe
- Low-melting
- InChI
- InChI=1S/C7H4ClFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
- InChIKey
- SOEFVBXUNROUOX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(F)=CC=C1Cl
- CAS Datenbank
- 84194 · 84194-30-9(CAS DataBase Reference)
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
Danger
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (60%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2913000090
- risk_code
- 22-37/38-41
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-5-Fluorobenzaldehyde is a benzaldehyde derivative with chlorine and fluorine atom substituents at the 2 and 5 positions. It is used as a reagent in organic synthesis or chemical reactions and can be used in the preparation of immunomodulators.
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