Grundinformationen
- CAS
596-01-0- Standard-SMILES
O=C1OC(c2ccc(O)c3ccccc23)(c2ccc(O)c3ccccc23)c2ccccc21- InChIKey
HQHBAGKIEAOSNM-UHFFFAOYSA-N- Summenformel
- C28H18O4
- Durchschnittliche Molmasse
- 418,4 g/mol
- Monoisotopische Masse
- 418,12050905
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- alpha-Naphtholphthalein
- IUPAC
- 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
- Lokaler Name
- 3,3-Bis(4-hydroxy-1-naphthyl)phthalid
- Englischer Name
- alpha-Naphtholphthalein
- Summenformel
- C28H18O4
- Molmasse
- 418.44
Namen und Synonyme
alpha-Naphtholphthalein596-01-0Naphtholphthalein3,3-Bis(4-hydroxy-1-naphthyl)phthalide1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-2QEG1706NNDTXSID70208273RefChem:555892DTXCID90130764209-875-51-Naphtholphthalein3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one
Weitere Namen anzeigen
1-naphthol quinoneɑ-Naphtholphthaleinl-naphtholphthaleinà-naphtholphthaleinα-Naphtholphthaleinp-α-Naphtholphthaleinα-Naphtholphthalein>Naphtholphthalein blue
a-naphtholphthaleinnaphtholphthalein bluea-NaphtolphtaleinMFCD000362023,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one3,3-bis(4-hydroxynaphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-one|A-NaphtholphthaleinUNII-2QEG1706NN
Datenbank-Bezeichner
- CAS
596-01-0- PubChem CID
- 68993
- DTXSID
DTXSID70208273- UNII
- 2QEG1706NN
- EC Number
- 209-875-5
- Nikkaji
- J6.780F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 668
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Indicator Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionColorless solid when pure; Usually greyish-red; [Merck Index] Grey to brown solid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 238 · 238-240 °C(lit.)
- Siedepunkt
- 496.21 °C · 496.21°C (rough estimate)
- Dichte
- 1.1532 · 1.1532 (rough estimate)
- Dampfdichte
- 14.44 · 14.44 (vs air)
- Brechungsindex
- 1.64 · 1.6400 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Solubility Practically insoluble in water; soluble in ethanol
- Aggregatzustand
- Powder
- pka
- 8 · 8.0, 8.2, 8.5(at 25℃)
- Farbe
- Pink to beige or brown
- Geruch (Odor)
- Characteristic odour
- PH
- 7.1 · pH : 7.1~8.7
- Wasserlöslichkeit
- Soluble in ethanol. Insoluble in water.
- Merck
- 14 · 14,6389
- BRN
- 97816 · 97816
- InChI
- 1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H
- InChIKey
- HQHBAGKIEAOSNM-UHFFFAOYSA-N
- SMILES
- O1C(c6c(cccc6)C1=O)(c4c5c(c(cc4)O)cccc5)c2c3c(c(cc2)O)cccc3
- CAS Datenbank
- 596 · 596-01-0(CAS DataBase Reference)
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-
1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 32041900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an indicator; [Merck Index]
Anwendungen
Verwendenalpha-Naphtholphthalein is used in preparation of epoxy resin compound, preparing, laminated board, printed circuit board, and cured product with high heat resistance and flame retardancy.
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