Grundinformationen
- CAS
610-35-5- Standard-SMILES
O=C(O)c1ccc(O)cc1C(=O)O- InChIKey
MWRVRCAFWBBXTL-UHFFFAOYSA-N- Summenformel
- C8H6O5
- Durchschnittliche Molmasse
- 182,13 g/mol
- Monoisotopische Masse
- 182,02152329
Überblick
4-hydroxyphthalic acid is a hydroxybenzoic acid that is phthalic acid in which the hydrogen at position 4 is substituted by a hydroxy group. It is a hydroxybenzoic acid and a member of phenols. It is functionally related to a phthalic acid.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxyphthalic acid
- IUPAC
- 4-hydroxyphthalic acid
- Lokaler Name
- 4-Hydroxyphthalsure
- Englischer Name
- 4-Hydroxyphthalic acid
- Summenformel
- C8H6O5
- Molmasse
- 182.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
610-35-5- PubChem CID
- 11881
- DTXSID
DTXSID8060585- ChEBI
CHEBI:27600- EC Number
- 210-221-6
- Nikkaji
- J27.657J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 191 · 191-194 °C
- Siedepunkt
- 235.5 °C · 235.5°C (rough estimate)
- Dichte
- 1.3293 · 1.3293 (rough estimate)
- Brechungsindex
- 1.433 · 1.4330 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder
- pka
- 3.13 · 3.13±0.10(Predicted)
- Farbe
- White to off-white
- Wasserlöslichkeit
- Slightly miscible with water.
- InChI
- InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
- InChIKey
- MWRVRCAFWBBXTL-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=CC=C(O)C=C1C(O)=O
- CAS Datenbank
- 610 · 610-35-5(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,2-Benzenedicarboxylic acid, 4-hydroxy- (610-35-5)
Sicherheit und Regulatorisches
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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29182900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4-Hydroxyphthalic acid is used as a precursor to prepare 3,5-dichloro-4-hydroxyphthalic acid using the reagent aqueous acetic acid and chlorine. Further, it is also used as a starting material in the manufacture of N-(4-carboxyphenyl)-4-acetoxyphthalimide.
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Ergänzende Hinweise
DefinitionChEBI: 4-hydroxyphthalic acid is a hydroxybenzoic acid that is phthalic acid in which the hydrogen at position 4 is substituted by a hydroxy group. It is a member of phenols and a hydroxybenzoic acid. It derives from a phthalic acid.
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