2,4-Dihydroxybenzaldehyd
2,4-Dihydroxybenzaldehyde
Grundinformationen
- CAS
95-01-2- Standard-SMILES
O=Cc1ccc(O)cc1O- InChIKey
IUNJCFABHJZSKB-UHFFFAOYSA-N- Summenformel
- C7H6O3
- Durchschnittliche Molmasse
- 138,12 g/mol
- Monoisotopische Masse
- 138,03169405
Überblick
2,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde that is resorcinol which has been substituted by a formyl group para to one of the hydroxy groups.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dihydroxybenzaldehyde
- IUPAC
- 2,4-dihydroxybenzaldehyde
- Lokaler Name
- 2,4-Dihydroxybenzaldehyd
- Englischer Name
- 2,4-Dihydroxybenzaldehyde
- Summenformel
- C7H6O3
- Molmasse
- 138.12
Namen und Synonyme
2,4-DIHYDROXYBENZALDEHYDE95-01-2beta-ResorcylaldehydeBenzaldehyde, 2,4-dihydroxy-b-resorcylaldehyde.beta.-Resorcylaldehydebeta-Rosorcaldehyde2,4-Dihydroxybenzaldehydb-ResorcaldehydeUNII-772JOF6LZSb-ResorcinaldehydeEINECS 202-383-1
Weitere Namen anzeigen
4-HydroxysalicylaldehydeBETA-RESORCYLIC ALDEHYDE2,4-Dihydroxybenzaldehyde(-Resorcylaldehyde)NC 012NSC 86904-DihydroxAKOS 227-33β-ResorcaldehydeAKOS BBS-00003187
772JOF6LZSBRN 0878548b-Resorcylic aldehydeCHEBI:50198AI3-24367NSC-8690DTXSID80218064-08-00-01753 (Beilstein Handbook Reference)
Datenbank-Bezeichner
- CAS
95-01-2- PubChem CID
- 7213
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 124
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesAngular frequency
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 135 · 135-137 °C (lit.)
- Siedepunkt
- 220 · 220-228 °C/22 mmHg (lit.)
- Dichte
- 1.2667 · 1.2667 (rough estimate)
- Brechungsindex
- 1.46 · 1.4600 (estimate)
- Flammpunkt
- 220 °C/22mm · 220°C/22mm
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 7.56 · 7.56±0.18(Predicted)
- Farbe
- White to beige
- Wasserlöslichkeit
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Benzaldehyde, 2,4-dihydroxy-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29124900
- RTECS-Nr.
- VH3600000
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzaldehyde, 2,4-dihydroxy-: ACTIVE
Anwendungen
Beschreibung2,4-Dihydroxybenzaldehyde is a resorcinol (R144700) derivative with potent antioxidative and antibacterial activity.
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