5-Formylsalicylsaeure
5-Formylsalicylic acid
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Grundinformationen
- CAS
616-76-2- Standard-SMILES
O=Cc1ccc(O)c(C(=O)O)c1- InChIKey
UTCFOFWMEPQCSR-UHFFFAOYSA-N- Summenformel
- C8H6O4
- Durchschnittliche Molmasse
- 166,13 g/mol
- Monoisotopische Masse
- 166,02660867
Namen und Bezeichner
- Bevorzugter Name
- 5-Formylsalicylic acid
- IUPAC
- 5-formyl-2-hydroxybenzoic acid
- Lokaler Name
- 5-Formylsalicylsaeure
- Englischer Name
- 5-Formylsalicylic acid
- Summenformel
- C8H6O4
- Molmasse
- 166.13
Namen und Synonyme
5-Formylsalicylic acid616-76-223V3W745T8CHEBI:137371NSC-15046NSC-16527DTXSID60210608RefChem:102688DTXCID50133099210-492-05-Formyl-2-hydroxybenzoic acid2-Hydroxy-5-formylbenzoic acid
Weitere Namen anzeigen
5-FormylsalicylicAcid>5-FORMYLSALICYLIC ACID 97%5-formyl-2-hydroxybenzoate5-Formylsalicylic acid,97%5-Formylsalicylic acid ,98%6-Hydroxyisophthalaldehydic acid
Benzoic acid, 5-formyl-2-hydroxy-MFCD000069455-formyl-2-hydroxy-benzoic acidEINECS 210-492-0CHEMBL2292403-carboxy-4-hydroxybenzaldehydeUNII-23V3W745T85-Formyl-2-hydroxybenzoic acid #
Datenbank-Bezeichner
- CAS
616-76-2- PubChem CID
- 69226
- DTXSID
DTXSID60210608- ChEMBL
CHEMBL229240- ChEBI
CHEBI:137371- UNII
- 23V3W745T8
- EC Number
- 210-492-0
- Nikkaji
- J62.828J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 189
Physikochemische Eigenschaften
- Schmelzpunkt
- 250 °C · 250 °C (dec.) (lit.)
- Siedepunkt
- 214.32 °C · 214.32°C (rough estimate)
- Dichte
- 1.2208 · 1.2208 (rough estimate)
- Brechungsindex
- 1.4611 · 1.4611 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- powder
- pka
- 2.67 · 2.67±0.10(Predicted)
- Farbe
- brownish-yellow
- BRN
- 2640881 · 2640881
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)
- InChIKey
- UTCFOFWMEPQCSR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(C=O)=CC=C1O
- CAS Datenbank
- 616 · 616-76-2(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
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 5 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 (20%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (20%)；Eye Irrit. 2 (100%)；STOT SE 3 (60%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
UsesSynthetic Polymer MALDI Matrix Compounds
Anwendungen
Verwenden5-Formylsalicylic Acid is used as a selective phase for the extraction of iron(III) in silica gel. It is also used in preparation of styrylquinolines as potent HIV-1 integrase inhibitors that block HIV-1 replication in CEM cells.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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