Grundinformationen
- Standard-SMILES
C[N+](C)(C)Cc1ccccc1.[OH-]- InChIKey
NDKBVBUGCNGSJJ-UHFFFAOYSA-M- Summenformel
- C10H16N.HO
- Durchschnittliche Molmasse
- 167,25 g/mol
- Monoisotopische Masse
- 167,13101416
Namen und Bezeichner
- Bevorzugter Name
- Benzyltrimethylammonium hydroxide
- IUPAC
- benzyl(trimethyl)azanium hydroxide
- Lokaler Name
- Benzyltrimethylammoniumhydroxid
- Englischer Name
- Benzyltrimethylammonium hydroxide
- Summenformel
- C10H17NO
- Molmasse
- 167.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
100-85-6- PubChem CID
- 66854
- DTXSID
DTXSID3044332- ChEMBL
CHEMBL3188269- UNII
- 8P4488425W
- EC Number
- 202-895-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 107
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Clear to light yellow liquid with an amine odor; Miscible in water; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 °C · 80 °C
- Siedepunkt
- 65 °C · 65°C
- Dichte
- 1.059 g/mL · 1.059 g/mL at 25 °C
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.43
- Flammpunkt
- 60 °F · 60 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with alcohols, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
- Aggregatzustand
- Solution
- Farbe
- Clear slightly yellow
- PH
- 12 · 12 (20°C in H2O, undiluted)
- Explosionsgrenze
- 5.5 · 5.50-36.50%
- Wasserlöslichkeit
- Miscible with water, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
- BRN
- 3917256 · 3917256
- InChI
- 1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
- InChIKey
- NDKBVBUGCNGSJJ-UHFFFAOYSA-M
- SMILES
- [OH-].C[N+](C)(C)Cc1ccccc1
- LogP
- -3 at · -3 at 20℃
- CAS Datenbank
- 100 · 100-85-6(CAS DataBase Reference)
- EPA chemische Informationen
- Benzyltrimethylammonium hydroxide (100-85-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (1 of 325) of reports.
Danger
H224 (12.6%): Extremely flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 325 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanaminium, N,N,N-trimethyl-, hydroxide
Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (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)
Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29507
Benzyltrimethylammonium hydroxide: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Sicherheitsdaten
- F
- 9-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29239000
- RTECS-Nr.
- BO8575000
- risk_code
- 34-39/23/24/25-23/24/25-11
- Toxizität
- LDLo scu-mus: 35 mg/kg JPETAB 28,367,26
- hazard_code
- C,T,F
- safety_code
- 26-36/37/39-45-46-16-28A-7
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1A
- Selbstentzündungstemperatur
- 455°C
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Verwendung und Herstellung
General Manufacturing Information
Wholesale and Retail Trade
Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1): ACTIVE
Anwendungen
VerwendenBenzyltrimethylammonium hydroxide is used as a phase-transfer catalyst. It is also used in aldol condensation reactions and base-catalyzed dehydration reactions. Further, it serves as a strong organic base and used in Horner-Wadsworth-Emmons olefination reactions. In addition, it is an active component in the formulation, which is used in silicon wafer cleaning applications.
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