4,4′,4”-트리메톡시트리틸염화물

4,4',4''-Trimethoxytrityl chloride

HCID 630505

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 49757-42-8
표준 SMILES: COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIKey: OBFCMKPFILBCSQ-UHFFFAOYSA-N
분자식: C22H21ClO3
평균 분자량: 368.9 g/mol
단동위원소 질량: 368.11792221

이름 및 식별자

우선 이름: 4,4',4''-Trimethoxytrityl chloride
IUPAC: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
현지명: 4,4′,4”-트리메톡시트리틸염화물
영어명: 4,4',4''-Trimethoxytrityl chloride
분자식: C22H21ClO3
분자량: 368.85

이름 및 동의어

49757-42-84,4',4''-Trimethoxytrityl chlorideBenzene, 1,1',1''-(chloromethylidyne)tris[4-methoxy-EINECS 256-474-6Benzene, 1,1',1''-(chloromethylidyne)tris(4-methoxy-DTXSID70198029RefChem:96161DTXCID50120520256-474-6OBFCMKPFILBCSQ-UHFFFAOYSA-N4,4',4''-(Chloromethanetriyl)tris(methoxybenzene)4,4',4"-Trimethoxytrityl chloride

이름 더 보기

4,4′,4”-트리메톡시트리틸염화물Trimethoxy trityl chloride4,4',4'-trimethoxybenzylchloro4,4’,4”-Trimethoxytriryl Chloridechlorotris(4-methoxyphenyl)methaneTris(p-methoxyphenyl)chloromethaneTris(p-methoxyphenyl)methyl chloride

C22H21ClO3MFCD000084081-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene #Tris(4-methoxyphenyl)methyl chloride4,4',4'-TRIMETHOXYTRITYL CHLORIDEFT-0623707Q56A3CAU82

데이터베이스 식별자

CAS: 49757-42-8
PubChem CID: 630505
DTXSID: DTXSID70198029
UNII: Q56A3CAU82
EC Number: 256-474-6
Nikkaji: J331J

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 346

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 146 · 146-148 °C(lit.)
끓는 점: 497.8 · 497.8±45.0 °C(Predicted)
밀도: 1.166 · 1.166±0.06 g/cm3(Predicted)
저장 조건: 0 · Store at 0-5°C
물리적 상태: powder
BRN: 892836 · 892836
InChI: InChI=1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
InChIKey: OBFCMKPFILBCSQ-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)Cl

화학적 성질

Off-white to orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4,4'',4''''-Trimethoxytrityl Chloride is used as a reagent in the formation of compounds with a Triphenylmethyl Motif; a motif that constitutes a family of anticancer drugs.