Grundinformationen
- Standard-SMILES
O=Cc1ccc(F)cc1- InChIKey
UOQXIWFBQSVDPP-UHFFFAOYSA-N- Summenformel
- C7H5FO
- Durchschnittliche Molmasse
- 124,11 g/mol
- Monoisotopische Masse
- 124,032443
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluorobenzaldehyde
- IUPAC
- 4-fluorobenzaldehyde
- Lokaler Name
- 4-Fluorbenzaldehyd
- Englischer Name
- 4-Fluorobenzaldehyde
- Summenformel
- C7H5FO
- Molmasse
- 124.11
Namen und Synonyme
4-Fluorobenzaldehyde459-57-4p-FluorobenzaldehydeBenzaldehyde, 4-fluoro-Benzaldehyde, p-fluoro-DTXSID0038756NSC-68095N8681893GADTXCID8018756RefChem:858068207-293-6para-Fluorobenzaldehyde
Weitere Namen anzeigen
PFBAPFADNSC 68095JACS-459-57-4AKOS BBS-000031664-Fluorbenzaldehydp-Fluoro benzaldehy
MFCD000033784-flurobenzaldehyde4-fluoro-benzaldehydeCHEMBL3183207Benzaldehyde-2,3,5,6-d4, 4-fluoro-p-fluorbenzaldehydeUNII-N8681893GA4fluorobenzaldehyde
Datenbank-Bezeichner
- CAS
459-57-4- PubChem CID
- 68023
- DTXSID
DTXSID0038756- ChEMBL
CHEMBL3183207- UNII
- N8681893GA
- EC Number
- 207-293-6
- Nikkaji
- J30.718A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 95,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physikochemische Eigenschaften
- Schmelzpunkt
- -10 °C · -10 °C (lit.)
- Siedepunkt
- 181 °C/758 · 181 °C/758 mmHg (lit.)
- Dichte
- 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
- Dampfdruck
- 19 hPa · 19 hPa (70 °C)
- Brechungsindex
- 20 · n20/D 1.521(lit.)
- Flammpunkt
- 134 °F · 134 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Wichte
- 1.157 · 1.157
- Wasserlöslichkeit
- IMMISCIBLE
- BRN
- 385857 · 385857
- Stabilität
- Air Sensitive
- InChI
- 1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
- InChIKey
- UOQXIWFBQSVDPP-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(F)cc1
- CAS Datenbank
- 459 · 459-57-4(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzaldehyde, 4-fluoro-(459-57-4)
- EPA chemische Informationen
- 4 · Benzaldehyde, 4-fluoro- (459-57-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 4-fluoro-
Status: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20621
4-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (82.4%)
Flammable liquids - Category 3
Sicherheitsdaten
- F
- 9-23
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29130000
- risk_code
- 36/37/38
- hazard_code
- Xi,F
- hazard_note
- Flammable
- safety_code
- 26-36-37/39-36/37/39-27
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzaldehyde, 4-fluoro-: ACTIVE
Anwendungen
Verwenden4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutic al compounds.
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