Grundinformationen
- CAS
865-48-5- Standard-SMILES
CC(C)(C)O.[Na]- InChIKey
GSVQWRYRPRJOIM-UHFFFAOYSA-N- Summenformel
- C4H10O.Na
- Durchschnittliche Molmasse
- 97,11 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Sodium tert-butoxide
- Lokaler Name
- Natrium-2-methylpropan-2-olat
- Englischer Name
- Sodium tert-butoxide
- Summenformel
- C4H9NaO
- Molmasse
- 96.1
Namen und Synonyme
RefChem:1098862865-48-5Sodium tert-butoxidetert-Butanol (sodium)sodium tert-butylatesodium tert-butanol2-methylpropan-2-ol sodiumSCHEMBL29448765GSVQWRYRPRJOIM-UHFFFAOYSA-NT-BUONANaOtBusodium t-butanolate
Weitere Namen anzeigen
sodium 2-methylpropan-2-olateSODIUM T-BUTOXIDESODIUM TERTIARY BUTOXIDESTBNatBSodium ter-butoxide
Datenbank-Bezeichner
- CAS
865-48-5- PubChem CID
- 45051916
- EC Number
- 212-741-9
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 25,1
Experimentelle und physikochemische Eigenschaften
Physical DescriptionDry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 °C · 180 °C
- Siedepunkt
- 180 °C/1mmHg · 180°C/1mmHg
- Dichte
- 1 · 1,104 g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 20 · n20/D1.413
- Flammpunkt
- 12 °C · 12°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- very slightly in Tetrahydrofuran
- Aggregatzustand
- Powder
- Wichte
- 1.104 · 1.104
- Farbe
- white to off-white
- Wasserlöslichkeit
- reacts
- BRN
- 3654215 · 3654215
- InChI
- 1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H228 (29%): Flammable solid [Danger Flammable solids]
P210, P235, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 689 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propanol, 2-methyl-, sodium salt
2-Propanol, 2-methyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 2-methyl-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 11-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14523
Sodium t-butylate: HSNO Approval: HSR004697 Approved with controls
Hazard Classes and CategoriesFlam. Sol. 1 (29%)
Sicherheitsdaten
- F
- 1-3-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3206 4.2/PG 2
- hs_code
- 29051900
- risk_code
- 11-14-34-37-35-36/37/38-40-19
- hazard_code
- F,C,Xi
- safety_code
- 26-36/37/39-43-45-7/8-8-16-36
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesReducing agent
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
2-Propanol, 2-methyl-, sodium salt (1:1): ACTIVE
Anwendungen
VerwendenSodium tert-butoxide is used as a strong base and a non-nucleophilic base. In organic synthesis, it serves as an intermediate in various reactions like condensation, rearrangement and ring-opening. Further, it finds use in agrochemicals, pharmaceuticals, colorants, aroma chemicals, detergents and biodiesel. It acts as a catalyst in polymerization and isomerization reactions.
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