2-Chlorotrityl chloride (HCID 94524)

概要

structure given in first source

名称と識別子

優先名称: 2-Chlorotrityl chloride
IUPAC: 1-chloro-2-[chloro(diphenyl)methyl]benzene
現地名: 2-クロロトリチルクロリド
英語名: 2-Chlorotrityl chloride
分子式: C19H14Cl2
分子量: 313.22

名称と別名

2-Chlorotrityl chloride42074-68-02-Chlorophenyldiphenylmethyl ChlorideGG3RF829XLDTXSID60194914RefChem:470492DTXCID00117405255-647-32-Chlorotrityl Chloride Resin(Chloro(2-chlorophenyl)methylene)dibenzene934816-82-71-Chloro-2-(chlorodiphenylmethyl)benzene

名称をさらに表示

2-クロロトリチルクロリド2-クロロトリチルクロリド樹脂 1%DVB架橋 (200-400メッシュ) (1.0-1.8mmol/g)(2-クロロフェニル)ジフェニルクロロメタンジフェニル(2-クロロフェニル)クロロメタン1-クロロ-2-(クロロジフェニルメチル)ベンゼン2-クロロトリチルクロリドポリマー樹脂(2-クロロフェニル)ジフェニルメチルクロリドクロロ(2-クロロフェニル)ジフェニルメタン2‐クロロトリチルクロリドレジン塩化2-クロロトリチル (90%)塩化2-クロロトリチル2-クロロトリチルクロリドレジン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

データベース識別子

CAS: 42074-68-0
PubChem CID: 94524
DTXSID: DTXSID60194914
UNII: GG3RF829XL
EC Number: 255-647-3、944-192-2
Nikkaji: J278.322C

物性

構造計算による物性

XLogP: 6.2
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 298

物理化学的性質

融点: 130 · 130-135 °C
沸点: 421.3 · 421.3±40.0 °C(Predicted)
比重(密度): 1.222 · 1.222±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、メタノール、ジクロロメタンに可溶、水に不溶
外見: 粉
色: 淡黄色の結晶性粉末
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 データベース: 42074 · 42074-68-0(CAS DataBase Reference)

化学的性質

化学的特性off-white to yellow or brown beads

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17094

Hazard Classes and Categories · 2 件

Met. Corr. 1 (93.8%)

Skin Irrit. 2 (100%)

安全データ

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
Hazard Classifications: Eye Irrit. 2Met. Corr. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用2-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.

調製方法 · 1 件

製造方法2-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.