4-(클로로메틸)-1-트리틸-1H-이미다졸

4-(Chloromethyl)-1-trityl-1H-imidazole

HCID 2763176CAS 103057-10-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: ADCUCAMWCWNHJA-UHFFFAOYSA-N
분자식: C23H19ClN2
평균 분자량: 358.9 g/mol
단동위원소 질량: 358.12367629

이름 및 식별자

우선 이름: 4-(Chloromethyl)-1-trityl-1H-imidazole
IUPAC: 4-(chloromethyl)-1-tritylimidazole
현지명: 4-(클로로메틸)-1-트리틸-1H-이미다졸
영어명: 4-(Chloromethyl)-1-trityl-1H-imidazole
분자식: C23H19ClN2
분자량: 358.86

이름 및 동의어

4-(Chloromethyl)-1-trityl-1H-imidazole103057-10-9DTXSID10376788RefChem:288684DTXCID103278164-(chloromethyl)-1-tritylimidazole4-(CHLOROMETHYL)-1-(TRIPHENYLMETHYL)-1H-IMIDAZOLEMFCD06660115C23H19ClN2SCHEMBL7594-chloromethyl-1-tritylimidazole1-trityl-4-chloromethyl-imidazole

이름 더 보기

4-(클로로메틸)-1-트리틸-1H-이미다졸1H-Imidazole, 4-(chloromethyl)-1-(triphenylmethyl)-

ADCUCAMWCWNHJA-UHFFFAOYSA-NSAA289304-(chloromethyl)-1-trityl-imidazole4-chloromethyl-1-trityl-1H-imidazoleAKOS015850528AB26688DS-99901-triphenylmethyl-4-chloromethylimidazole

데이터베이스 식별자

CAS: 103057-10-9
PubChem CID: 2763176
DTXSID: DTXSID10376788
EC Number: 672-878-9
Nikkaji: J1.626.191B

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 376

물리화학적 성질

녹는점: 139 · 139-141 °C
끓는 점: 503.4 · 503.4±45.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 5.28 · 5.28±0.70(Predicted)
InChI: 1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
InChIKey: ADCUCAMWCWNHJA-UHFFFAOYSA-N
SMILES: ClCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.