1-Chlor-2-(chlordiphenylmethyl)benzol

2-Chlorotrityl chloride

HCID 94524CAS 42074-68-0

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Grundinformationen

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
UNII: GG3RF829XL
EC Number: 255-647-3、944-192-2
Nikkaji: J278.322C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,2
Polarare Oberfläche (TPSA): 0 Å²
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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 2 Einträge

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 · 1 Eintrag

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 · 1 Eintrag

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.