2-Chlorotrityl chloride (HCID 94524)

개요

structure given in first source

이름 및 식별자

우선 이름: 2-Chlorotrityl chloride
IUPAC: 1-chloro-2-[chloro(diphenyl)methyl]benzene
영어명: 2-Chlorotrityl chloride
분자식: C19H14Cl2
분자량: 313.22

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 298

물리화학적 성질

녹는점: 130 · 130-135 °C
끓는 점: 421.3 · 421.3±40.0 °C(Predicted)
밀도: 1.222 · 1.222±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올, 디클로로메탄에 용해되고 물에는 용해되지 않습니다.
물리적 상태: 가루
색상: 담황색 결정성 분말
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

화학적 성질

off-white to yellow or brown beads

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

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

Hazard Classes and Categories · 2건

Met. Corr. 1 (93.8%)

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 3261
HS 번호: 2903 99 80
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-24/25-22
포장분류: III
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Eye Irrit. 2Met. Corr. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2-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.

제조 방법 · 1건

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.