4-Hydroxy-1-naphthaldehyde

HCID 344290CAS 7770-45-8

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Grundinformationen

Standard-SMILES: O=Cc1ccc(O)c2ccccc12
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
Summenformel: C11H8O2
Durchschnittliche Molmasse: 172,18 g/mol
Monoisotopische Masse: 172,0524295

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxy-1-naphthaldehyde
IUPAC: 4-hydroxynaphthalene-1-carbaldehyde
Englischer Name: 4-Hydroxy-1-naphthaldehyde
Summenformel: C11H8O2
Molmasse: 172.18

Namen und Synonyme

4-Hydroxy-1-naphthaldehyde4-Hydroxy-naphthaldehydeDTXSID50322380RefChem:99129DTXCID00273499626-164-9LORPDGZOLAPNHP-UHFFFAOYSA-N7770-45-84-hydroxynaphthalene-1-carbaldehydeMFCD000534861-Naphthalenecarboxaldehyde, 4-hydroxy-NSC401124

Weitere Namen anzeigen

4-HYDROXY-1-NAPHTHALDEHYD4-hydroxy-1-naphthalenecarboxaldehyde

4-formyl-1-naphthol4-hydroxynaphthaldehyde4-hydroxy naphthaldehyde4-Hydroxy-1-phthaldehyde4-hydroxy-1-naphtaldehyde4-hydroxy-1-napthaldehyde4-hydroxy- 1-naphthaldehydeSCHEMBL146732

Datenbank-Bezeichner

CAS: 7770-45-8
PubChem CID: 344290
DTXSID: DTXSID50322380
ChEMBL: CHEMBL4457110
EC Number: 626-164-9
Nikkaji: J1.652.347J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Schmelzpunkt: 179 · 179-182 °C (lit.)
Siedepunkt: 364.9 · 364.9±15.0 °C(Predicted)
Dichte: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 6.66 · 6.66±0.40(Predicted)
InChI: 1S/C11H8O2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-7,13H
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
SMILES: Oc1ccc(C=O)c2ccccc12
CAS Datenbank: 7770 · 7770-45-8(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Hydroxy-naphthaldehyde(7770-45-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Hydroxy-1-naphthaldehyde was used in the preparation of racemic 1- and 2-naphthol analogues of tyrosine, 2-amino-3-(4-hydroxy-1-naphthyl)propanoic acid hydrochloride and 2-amino-3-(6-hydroxy-2-naphthyl)propanoic acid hydrobromide.