Grundinformationen
- Standard-SMILES
Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12- InChIKey
PPTXVXKCQZKFBN-UHFFFAOYSA-N- Summenformel
- C20H14O2
- Durchschnittliche Molmasse
- 286,3 g/mol
- Monoisotopische Masse
- 286,09937969
Überblick
(S)-(-)-1,1'-Bi-2-naphthol is a member of naphthols.
Namen und Bezeichner
- Bevorzugter Name
- Binol
- IUPAC
- 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
- Englischer Name
- (R)-(+)-1,1'-Bi-2-naphthol
- Summenformel
- C20H14O2
- Molmasse
- 286.32
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
18531-94-7、18531-99-2、602-09-5- PubChem CID
- 11762
- DTXSID
DTXSID9060526- ChEMBL
CHEMBL138718- ChEBI
CHEBI:189881- UNII
- 25AB254328、54OT5RRV4C、M6IDZ128WT
- EC Number
- 210-014-0、606-048-4、606-050-5
- Nikkaji
- J1.031.260D、J1.031.261B、J1.055.781J、J1.055.782H、J134.638E、J166.096I、J54.937A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 · 215-218 °C
- Siedepunkt
- 388.69 °C · 388.69°C (rough estimate)
- Dichte
- 1.301 · 1.301
- Brechungsindex
- 36 ° · 36.0 ° (C=1, THF)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 50 mg/mL, · dioxane: 50 mg/mL, clear
- pka
- 8.29 · 8.29±0.50(Predicted)
- Aggregatzustand
- Powder
- Farbe
- white to off-white
- Wasserlöslichkeit
- 50 mg/mL · Insoluble in water. Solubility in THF within almost transparency). Soluble in dioxane 50 mg/mL.
- Merck
- 14 · 14,1226
- BRN
- 3616837 · 3616837
- InChI
- 1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
- InChIKey
- PPTXVXKCQZKFBN-UHFFFAOYSA-N
- SMILES
- Oc1ccc2ccccc2c1-c3c(O)ccc4ccccc34
- CAS Datenbank
- 18531 · 18531-94-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (96.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
Status: Active Update: 13-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7895
Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25133
Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30088
1,1'-Binaphthyl-2,2'-diol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (90%)
Acute Tox. 3 (92%)
Acute Tox. 3 (96.2%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- No
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29071590
- RTECS-Nr.
- DU3106100
- risk_code
- 25-36-36/37/38
- Toxizität
- LD50 orally in Rabbit: 113 mg/kg
- hazard_code
- T,Xi
- safety_code
- 26-45-24/25-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenChiral binapthol imminium salt precursor. Salts were used for an asymmetric epoxidation of olefins.
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