4-Formylbenzoesure
4-Formylbenzoic acid
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
619-66-9- Standard-SMILES
O=Cc1ccc(C(=O)O)cc1- InChIKey
GOUHYARYYWKXHS-UHFFFAOYSA-N- Summenformel
- C8H6O3
- Durchschnittliche Molmasse
- 150,13 g/mol
- Monoisotopische Masse
- 150,03169405
Überblick
4-formylbenzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 4. It has a role as a plant metabolite. It is a member of benzaldehydes, a member of benzoic acids and a monocarboxylic acid. It is a conjugate acid of a 4-formylbenzoate.
Namen und Bezeichner
- Bevorzugter Name
- 4-Formylbenzoic acid
- IUPAC
- 4-formylbenzoic acid
- Lokaler Name
- 4-Formylbenzoesure
- Englischer Name
- 4-Formylbenzoic acid
- Summenformel
- C8H6O3
- Molmasse
- 150.13
Namen und Synonyme
4-FORMYLBENZOIC ACID4-Carboxybenzaldehyde619-66-9Terephthalaldehydic acidBenzoic acid, 4-formyl-p-Formylbenzoic acidp-CarboxybenzaldehydeTerephthaldehydic acidpara-carboxybenzaldehydep-benzoic acid aldehydeDTXSID3027249UES4QRK36E
Weitere Namen anzeigen
4-Formylbenzoic acid Vetec(TM) reagent grade, 97%4-FormyLCarboxybenzaldehydeNSC 15797AKOS BBS-00003246ForMylbenzoic aci
TEREPHTHALALDEHYDE ACIDNSC-15797CHEBI:191179RefChem:1113398210-607-4MFCD000069514-CARBOXYLBENZALDEHYDE4-Formyl-benzoic acid
Datenbank-Bezeichner
- CAS
619-66-9- PubChem CID
- 12088
- DTXSID
DTXSID3027249- ChEMBL
CHEMBL113897
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 157
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
LogP1.52
SolubilitySLIGHTLY SOLUBLE IN HOT WATER; VERY SOLUBLE IN ALCOHOL; SOLUBLE IN ETHER AND IN CHOLROFORM
Boiling PointSUBLIMES BEFORE REACHING BOILING POINT
Melting Point256 °C
Vapor Pressure0.000375 [mmHg]
Physical DescriptionWhite powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 °C · 247 °C(lit.)
- Siedepunkt
- 231.65 °C · 231.65°C (rough estimate)
- Dichte
- 1.2645 · 1.2645 (rough estimate)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 4-formylbenzoic acid (EC: 210-607-4)
Benzoic acid, 4-formyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Non-Human Toxicity Excerpts
INTERACTIONS OF P-CARBOXYBENZALDEHYDE WITH RAT LIVER MITOCHONDRIA WAS EXAMINED IN VITRO. ALTHOUGH PYRUVATE/MALEATE- & SUCCINATE-MEDIATED RESPIRATION, AS WELL AS THAT MEDIATED BY OTHER CITRIC ACID CYCLE INTERMEDIATES, WERE INHIBITED, CYTOCHROME C OXIDASE WAS NOT INHIBITED.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 4-formyl-: ACTIVE
Anwendungen
Beschreibung4-Formylbenzoic acid, also known as 4-Carboxybenzaldehyde, is a white crystalline powder with a molecular formula of C8H5O3. It is insoluble in water but can be dissolved in DMF. This compound has the ability to undergo esterification reactions and alcohol-aldehyde condensation reactions with alcohols. 4-Formylbenzoic acid is a metabolite of aldehydes. It is an important intermediate for organic synthesis, widely used in medicine, pesticides, coatings, liquid crystal raw materials, polymer materials and perfume raw materials.
Verwenden4-Formylbenzoic acid is usually used as reagent during esterification of 2,2,6,6-tetramethyl-4-oxopiperidinyl-1-oxyl to yield 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl 4-formylbenzoate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
518
Notizen zur Verbindung
Wird geladen…