Grundinformationen
- CAS
98-04-4- Standard-SMILES
C[N+](C)(C)c1ccccc1.[I-]- InChIKey
KKLAORVGAKUOPZ-UHFFFAOYSA-M- Summenformel
- C9H14IN
- Durchschnittliche Molmasse
- 263,12 g/mol
- Monoisotopische Masse
- 263,0171
Namen und Bezeichner
- Bevorzugter Name
- Trimethylphenylammonium iodide
- IUPAC
- trimethyl(phenyl)azanium iodide
- Lokaler Name
- N,N,N-Trimethylaniliniumiodid
- Englischer Name
- Phenyltrimethylammonium iodide
- Summenformel
- C9H14IN
- Molmasse
- 263.12
Namen und Synonyme
Trimethylphenylammonium iodideRefChem:17313298-04-4Phenyltrimethylammonium iodideTrimethylanilinium iodideN,N,N-Trimethylbenzenaminium iodideN,N,N-Trimethylanilinium iodideN,N-Dimethylaniline methiodidetrimethyl(phenyl)azanium;iodideMFCD000117914O888XQ7FPNSC-5047
Weitere Namen anzeigen
trimethylanilliniumiodidephenyltrimethyl-ammoniuiodiden,n-dimethylanilinemethiodidetrimethylphenyl-ammoniuiodideTrimethylphenylaminium iodideTriMethylphenylaMMoniuM Iodidn,n,n-trimethylaniliniumiodide
Trimethylanillinium iodideMLS000069658trimethyl(phenyl)ammonium;iodideAmmonium, phenyltrimethyl-, iodideNSC 5047SMR000059200EINECS 202-630-3TrimethylphenylammoniumIodide
Datenbank-Bezeichner
- CAS
98-04-4- PubChem CID
- 94135
- DTXSID
DTXSID1021825
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 95,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Solubility>39.5 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure0.00000003 [mmHg]
Physical DescriptionWhite solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 227 °C · 227 °C (subl.)(lit.)
- Siedepunkt
- 212 °C · 212 °C
- Dichte
- 1.4709 · 1.4709 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Methanol, Water
- Aggregatzustand
- Slightly Crystalline Powder or Flakes
- Farbe
- White to slightly green
- Wasserlöslichkeit
- Soluble in water and methanol.
- Merck
- 14 · 14,7318
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
Danger
H311 (11.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Causes convulsions in intraperitoneal lethal-dose studies of mice (LD50 = 55 mg/kg); [RTECS] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenyltrimethylammonium bromide and Phenyltrimethylammonium chloride. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesAcute Tox. 3 (11.4%)
Sicherheit und Schutzausrüstung
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)
Sicherheitsdaten
- F
- 3-8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2811
- hs_code
- 29239000
- RTECS-Nr.
- BT2450000
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Verwendung und Herstellung
UsesUsed for the detection and determination of cadmium; [Merck Index]
General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, iodide (1:1): ACTIVE
Anwendungen
VerwendenPhenyltrimethylammonium iodide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.
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