1-Hydroxy-2-naphthoesure
1-Hydroxy-2-naphthoic acid
Grundinformationen
- CAS
86-48-6- Standard-SMILES
O=C(O)c1ccc2ccccc2c1O- InChIKey
SJJCQDRGABAVBB-UHFFFAOYSA-N- Summenformel
- C11H8O3
- Durchschnittliche Molmasse
- 188,18 g/mol
- Monoisotopische Masse
- 188,04734411
Überblick
1-hydroxy-2-naphthoic acid is a naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. It has a role as a fungal xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a member of naphthols, a naphthoic acid and a hydroxy monocarboxylic acid. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a 1-hydroxy-2-naphthoate.
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxy-2-naphthoic acid
- IUPAC
- 1-hydroxynaphthalene-2-carboxylic acid
- Lokaler Name
- 1-Hydroxy-2-naphthoesure
- Englischer Name
- 1-Hydroxy-2-naphthoic acid
- Summenformel
- C11H8O3
- Molmasse
- 188.18
Namen und Synonyme
1-Hydroxy-2-naphthoic acid86-48-61-hydroxynaphthalene-2-carboxylic acid1-Naphthol-2-carboxylic acid2-Carboxy-1-naphtholXinafoic acid2-Naphthalenecarboxylic acid, 1-hydroxy-1-HYDROXY-2-NAPHTHALENECARBOXYLIC ACIDU8LZ3R07L8DTXSID5058937NSC-3717CHEBI:36108
Weitere Namen anzeigen
NSC 3717Xinafoic acid.RARECHEM AL BE 03591-Hydroxy-2-naphthoiLABOTEST-BB LT004527571-Hydroxy-2-phthoic acidhydroxy-2-naphthoic acid1-Hydroxy-2-naphthoicaci1-hydroxy-β-naphthoic acid
RefChem:433115DTXCID0048503201-674-02-Naphthoic acid, 1-hydroxy-CARBOXYNAPHTHOLMFCD00003960alpha-Hydroxynaphthoic acidCHEMBL229299
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 227
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthoic Acids
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionWhite to reddish solid; [Merck Index] Light brown powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 · 195-200 °C (dec.) (lit.)
- Siedepunkt
- 283.17 °C · 283.17°C (rough estimate)
- Dichte
- 1.21 · 1.2100 (rough estimate)
- Brechungsindex
- 1.631 · 1.6310 (estimate)
- Flammpunkt
- 150 °C · 150 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- alcohol: freely soluble
- Aggregatzustand
- Powder or Crystals
- pka
- 3.02 · 3.02±0.30(Predicted)
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
This chemical does not meet GHS hazard criteria for 7.1% (12 of 168) of reports.
Danger
H302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 168 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Naphthalenecarboxylic acid, 1-hydroxy-
1-Hydroxy-naphthalene-2-carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (61.9%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29182910
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing Information2-Naphthalenecarboxylic acid, 1-hydroxy-: ACTIVE
Anwendungen
VerwendenMetabolite from phenanthrene degradation. 1-Hydroxy-2-naphthoic acid is used as an intermediate for azo and triphenylmethane dyes and, more recently, for color-film dyes.
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