2-Chlorotrityl chloride
기본 정보
- CAS
42074-68-0- 표준 SMILES
Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1- InChIKey
JFLSOKIMYBSASW-UHFFFAOYSA-N- 분자식
- C19H14Cl2
- 평균 분자량
- 313.2 g/mol
- 단동위원소 질량
- 312.04725581
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
유해성 정보
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%)
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
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
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.
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