2-Ethoxy-1-naphthoesure

2-Ethoxy-1-naphthoic acid

HCID 75210CAS 2224-00-2

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Grundinformationen

Standard-SMILES: CCOc1ccc2ccccc2c1C(=O)O
InChIKey: MYFBSSDLYGWAHH-UHFFFAOYSA-N
Summenformel: C13H12O3
Durchschnittliche Molmasse: 216,23 g/mol
Monoisotopische Masse: 216,07864424

Namen und Bezeichner

Bevorzugter Name: 2-Ethoxy-1-naphthoic acid
IUPAC: 2-ethoxynaphthalene-1-carboxylic acid
Lokaler Name: 2-Ethoxy-1-naphthoesure
Englischer Name: 2-ETHOXY-1-NAPHTHOIC ACID
Summenformel: C13H12O3
Molmasse: 216.23

Namen und Synonyme

2-Ethoxy-1-naphthoic acid2224-00-21-Naphthalenecarboxylic acid, 2-ethoxy-EINECS 218-745-7DTXSID9062277RefChem:471401DTXCID4036649218-745-72-ethoxynaphthalene-1-carboxylic acid2-ethoxynaphthoic acidMFCD000040082-ethoxynaphthalenecarboxylic acid

Weitere Namen anzeigen

RARECHEM AL BE 05662-Ethoxy-1-phthoic acid2-ETHOXYNAPHTOIC ACID, 98%2-Ethoxynaphthoic acid,98%2-Ethoxy-1-naphthoic acid, tech.Nafcillin 2-Ethoxynaphthoic Acid2-ethoxy-1-naphthalenecarboxylate

timtec-bb sbb0057712-Ethoxy-1-naphthoic Acid; 2-Ethoxy-1-naphthalenecarboxylic Acid2-ethoxy-1-naphthalenecarboxylic acid2-ethyloxy-1-naphthalenecarboxylic acidB8FF3KQ7VSSCHEMBL503962SCHEMBL303930292-Ethoxy-1-naphthoic acid, 97%

Datenbank-Bezeichner

CAS: 2224-00-2
PubChem CID: 75210
DTXSID: DTXSID9062277
UNII: B8FF3KQ7VS
EC Number: 218-745-7
Nikkaji: J299.182I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 252

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-145 °C
Siedepunkt: 316.65 °C · 316.65°C (rough estimate)
Dichte: 1.1652 · 1.1652 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
Löslichkeit: Methanol
Aggregatzustand: Crystalline Powder
pka: 3.13 · 3.13±0.10(Predicted)
Farbe: White to pale brown
BRN: 2695612 · 2695612
CAS Datenbank: 2224 · 2224-00-2(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Ethoxy-1-naphthoic acid (2224-00-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 8 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.