Binol
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Basic information
- CAS
18531-94-7- Standard SMILES
Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12- InChIKey
PPTXVXKCQZKFBN-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Overview
(S)-(-)-1,1'-Bi-2-naphthol is a member of naphthols.
Names & identifiers
- Preferred name
- Binol
- IUPAC
- 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
- English name
- (R)-(+)-1,1'-Bi-2-naphthol
- Molecular formula
- C20H14O2
- Molecular weight
- 286.32
Names & synonyms
1,1'-Bi-2-naphthol602-09-5[1,1'-Binaphthalene]-2,2'-diolbinolbeta-Binaphthol1,1'-Binaphthyl-2,2'-diolBis-beta-naphtholalpha-Binaphthyl-2,2'-diol(1,1'-BINAPHTHALENE)-2,2'-DIOLNSC-2704925AB254328DTXSID9060526
Show more names
(R)-BINOL(R)-1,1'-BI-2-NAPHTHOL(R,S)-BINOL(R)-(+)-BINOL(S)-[1,1'-BINAPHTHALENE]-2,2'-DIOL(+)-BINOLR-1,1'AKOS 90560
RefChem:568357DTXCID7042770210-014-018531-94-718531-99-2(S)-(-)-1,1'-Bi-2-naphthol(R)-(+)-1,1'-Bi-2-naphthol(R)-[1,1'-Binaphthalene]-2,2'-diol
Database identifiers
- 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
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 215 · 215-218 °C
- alpha
- 35.5 · 35.5 º (c=1, THF)
- Boiling point
- 388.69 °C · 388.69°C (rough estimate)
- Density
- 1.301 · 1.301
- refractive index
- 36 ° · 36.0 ° (C=1, THF)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 50 mg/mL, · dioxane: 50 mg/mL, clear
- pka
- 8.29 · 8.29±0.50(Predicted)
- form
- Powder
- color
- white to off-white
- optical activity
- 21 · [α]21/D +34°, c = 1 in THF
- Water Solubility
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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]
Hazard information
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%)
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- No
- rtecs
- DU3106100
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29071590
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Binaphthalene]-2,2'-diol: ACTIVE
Applications
UsesChiral binapthol imminium salt precursor. Salts were used for an asymmetric epoxidation of olefins.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
143 records
Compound notes
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