1-Chlor-2-(chlordiphenylmethyl)benzol
2-Chlorotrityl chloride
Grundinformationen
- CAS
42074-68-0- Standard-SMILES
Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1- InChIKey
JFLSOKIMYBSASW-UHFFFAOYSA-N- Summenformel
- C19H14Cl2
- Durchschnittliche Molmasse
- 313,2 g/mol
- Monoisotopische Masse
- 312,04725581
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Chlorotrityl chloride
- IUPAC
- 1-chloro-2-[chloro(diphenyl)methyl]benzene
- Lokaler Name
- 1-Chlor-2-(chlordiphenylmethyl)benzol
- Englischer Name
- 2-Chlorotrityl chloride
- Summenformel
- C19H14Cl2
- Molmasse
- 313.22
Namen und Synonyme
2-Chlorotrityl chloride42074-68-02-Chlorophenyldiphenylmethyl ChlorideGG3RF829XLDTXSID60194914RefChem:470492DTXCID00117405255-647-32-Chlorotrityl Chloride Resin(Chloro(2-chlorophenyl)methylene)dibenzene934816-82-71-Chloro-2-(chlorodiphenylmethyl)benzene
Weitere Namen anzeigen
CTC resin2-CHLOROTRITYL RESIN2CTC Resin2-CHLOROTRITYLCHLORIDE POLYMER RESINCL-TRT(2-CL)-RESIN2-Chlorotriphenylmethyl chloride resin
Clotrimazole EP Impurity C1-chloro-2-[chloro(diphenyl)methyl]benzene2-Chlorotritylchloride(2-Chlorophenyl)diphenylmethyl ChlorideMFCD00040399Chlorotrityl chlorideChloro(2-chlorophenyl)diphenylmethaneMFCD00161760
Datenbank-Bezeichner
- CAS
42074-68-0- PubChem CID
- 94524
- DTXSID
DTXSID60194914
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 298
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-135 °C
- Siedepunkt
- 421.3 · 421.3±40.0 °C(Predicted)
- Dichte
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in Chloroform, methanol and dichloromethane, insoluble in water
- Aggregatzustand
- Powder
- Farbe
- Pale yellow crystalline powder
- BRN
- 1983914 · 1983914
- InChI
- InChI=1S/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
- InChIKey
- JFLSOKIMYBSASW-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=CC=C1C(Cl)(C1=CC=CC=C1)C1=CC=CC=C1
- CAS Datenbank
- 42074 · 42074-68-0(CAS DataBase Reference)
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
Warning
H290 (93.8%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17094
Hazard Classes and Categories
Met. Corr. 1 (93.8%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- ridadr
- 3261
- hs_code
- 2903 99 80
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25-22
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Irrit. 2Met. Corr. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Chlorotrityl chloride is used as an intermediate of clotrimazole. It is also used in the preparation of modified trityl nucleosides as inhibitors of P. falciparum dUTPase. In addition, it serves as a protecting group reagent for carboxylic acids forming esters.
Darstellung
synthetische2-Chlorotrityl chloride synthesis: It is esterified with 2-Chlorobenzoic acid and ethanol in the presence of sulfuric acid or p-toluenesulfonic acid to generate Ethyl 2-Chlorobenzoate, which is then condensed with phenylmagnesium bromide (Grignard reaction) to obtain (2-Chlorophenyl)diphenylmethanol magnesium salt is hydrolyzed with sulfuric acid to obtain (2-Chlorophenyl)diphenylmethanol, which is then chlorinated with thionyl chloride to obtain the product.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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