4-브로모-1-트리틸-1H-이미다졸

4-Bromo-1-trityl-1H-imidazole

HCID 2773274CAS 87941-55-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
분자식: C22H17BrN2
평균 분자량: 389.3 g/mol
단동위원소 질량: 388.05751

이름 및 식별자

우선 이름: 4-Bromo-1-trityl-1H-imidazole
IUPAC: 4-bromo-1-tritylimidazole
현지명: 4-브로모-1-트리틸-1H-이미다졸
영어명: 4-BROMO-1-TRITYL-1H-IMIDAZOLE
분자식: C22H17BrN2
분자량: 389.29

이름 및 동의어

4-Bromo-1-trityl-1H-imidazole87941-55-7DTXSID10378328RefChem:290533DTXCID10329355689-710-54-bromo-1-tritylimidazole4-bromo-1-(triphenylmethyl)-1H-imidazoleMFCD001856574-Bromo-1-trityl-1H-imidazole; 4-Bromo-1-tritylimidazole4-Bromo-1-trityl-1H-imidazde1H-Imidazole, 4-bromo-1-(triphenylmethyl)-

이름 더 보기

4-브로모-1-트리틸-1H-이미다졸1-Trityl-4-BroMo IMidazole4-Bromo-1-[tris(phenyl)methyl]-1H-imidazole4-bromo-1-[2-(diphenylmethyl)phenyl]imidazole

4-Bromo-1-trityl-imidazoleSCHEMBL1982002BSQFJBYJUQJNMZ-UHFFFAOYSA-N4-bromo-1-triphenylmethyl-imidazoleALBB-034634CS-M3677AKOS007930519AB04448

데이터베이스 식별자

CAS: 87941-55-7
PubChem CID: 2773274
DTXSID: DTXSID10378328
EC Number: 689-710-5
Nikkaji: J3.078.088D

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 363

물리화학적 성질

녹는점: 248 · 248-250 °C(Solv: ethanol (64-17-5))
끓는 점: 492.5 · 492.5±40.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 3.6 · 3.60±0.61(Predicted)
InChI: InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
SMILES: C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(Br)N=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.