1-Naphthoesure
1-Naphthoic acid
Grundinformationen
- CAS
1320-04-3- Standard-SMILES
O=C(O)c1cccc2ccccc12- InChIKey
LNETULKMXZVUST-UHFFFAOYSA-N- Summenformel
- C11H8O2
- Durchschnittliche Molmasse
- 172,18 g/mol
- Monoisotopische Masse
- 172,05242949
Überblick
1-naphthoic acid is a naphthoic acid carrying a carboxy group at position 1. It has a role as a fungal xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 1-naphthoate.
Namen und Bezeichner
- Bevorzugter Name
- 1-Naphthoic acid
- IUPAC
- naphthalene-1-carboxylic acid
- Lokaler Name
- 1-Naphthoesure
- Englischer Name
- 1-Naphthoic acid
- Summenformel
- C11H8O2
- Molmasse
- 172.18
Namen und Synonyme
1-NAPHTHOIC ACID86-55-51-Naphthalenecarboxylic acidnaphthalene-1-carboxylic acidalpha-Naphthoic acid1-Carboxynaphthalene2NIV4O66BHCHEBI:36466NSC-37569DTXSID50861668RefChem:76530DTXCID90810559
Weitere Namen anzeigen
NSC 375691-naphthoic1-phthoic acid1-Naphthoesure1-NAPTHOIC ACID1-Naphtoic Acida-naphthoic acid
201-681-9NAPHTHOIC ACIDNaphthalenecarboxylic acidCarboxynaphthalenealpha-Naphthylcarboxylic acid.alpha.-Naphthoic acidMFCD000040071320-04-3
Datenbank-Bezeichner
- CAS
1320-04-3、86-55-5- PubChem CID
- 6847
- DTXSID
DTXSID50861668- ChEMBL
CHEMBL1160- ChEBI
CHEBI:36466- UNII
- 2NIV4O66BH
- EC Number
- 201-681-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 200
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Naphthoic Acids
Industrial compound
DrugsPharmaceuticals -> Metabolite of Terbinafine
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP2.78
Physical DescriptionSolid; [Merck Index] Off-white or beige powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 157 · 157-160 °C (lit.)
- Siedepunkt
- 300 °C · 300 °C (lit.)
- Dichte
- 1.398 · 1.398
- Brechungsindex
- 1.46 · 1.4600 (estimate)
- Flammpunkt
- 195 °C · 195°C
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 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Naphthalenecarboxylic acid
1-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin and mucous membrane irritant; [Merck Index] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29163900
- RTECS-Nr.
- QL0960000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25-37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites1-Naphthoic acid is a known human metabolite of 1-Naphtaldehyde.
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1-Naphthalenecarboxylic acid: ACTIVE
Anwendungen
Verwenden1-Naphthoic acid is used as an intermediate for the synthesis of pharmaceuticals, photochemicals, plant growth hormones, dyes and other organic compounds.
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Nachgelagerte Produkte
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