Grundinformationen
- Standard-SMILES
C[N+](C)(C)c1ccccc1.[Cl-]- InChIKey
MQAYPFVXSPHGJM-UHFFFAOYSA-M- Summenformel
- C9H14N.Cl
- Durchschnittliche Molmasse
- 171,67 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Phenyltrimethylammonium chloride
- IUPAC
- trimethyl(phenyl)azanium chloride
- Lokaler Name
- N,N,N-Trimethylaniliniumchlorid
- Englischer Name
- Trimethylphenylammonium chloride
- Summenformel
- C9H14ClN
- Molmasse
- 171.67
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
138-24-9- PubChem CID
- 67309
- DTXSID
DTXSID6051699- ChEMBL
CHEMBL1209421- UNII
- 1886BWR70S
- EC Number
- 205-319-0
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 Classes
Nitrogen Compounds -> Quaternary Amines
Industrial compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 246 · 246-248 °C (dec.) (lit.)
- Siedepunkt
- 283.2 °C · 283.2°C (rough estimate)
- Dichte
- 1.0683 · 1.0683 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.6224 · 1.6224 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: 0.1 g/mL, clear
- Aggregatzustand
- Solid
- Farbe
- White crystalline
- PH
- 4.5 · 4.5 (333g/l, H2O, 20℃)
- Explosionsgrenze
- 1 · 1-6%(V)
- Wasserlöslichkeit
- soluble
- BRN
- 3572527 · 3572527
- InChI
- 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
- InChIKey
- MQAYPFVXSPHGJM-UHFFFAOYSA-M
- SMILES
- [Cl-].C[N+](C)(C)c1ccccc1
- LogP
- 0.542 at · 0.542 at 25℃
- CAS Datenbank
- 138 · 138-24-9(CAS DataBase Reference)
- NIST chemische Informationen
- Trimethylphenylammonium chloride(138-24-9)
- EPA chemische Informationen
- Benzenaminium, N,N,N-trimethyl-, chloride (138-24-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzenaminium, N,N,N-trimethyl-, chloride
Status: Active Update: 02-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18578
Phenyltrimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29239000
- RTECS-Nr.
- BT2190000
- risk_code
- 24/25
- Toxizität
- LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg
- hazard_code
- T
- safety_code
- 53-25-39-45
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3
- Selbstentzündungstemperatur
- 237°C
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
Anwendungen
VerwendenPhenyltrimethylammonium chloride is an effective phase transfer catalyst, methylating agent, also useful for alkaline depolymerizations, corrosion inhibitor for low carbon steel.
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