1,3-BIS(2,6-DIISOPROPYLPHENYL)-이미다졸리디늄-염화물

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride

HCID 2734918

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 258278-25-0
표준 SMILES: CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.[Cl-]
InChIKey: LWPXTYZKAWSRIP-UHFFFAOYSA-M
분자식: C27H39ClN2
평균 분자량: 427.1 g/mol

이름 및 식별자

우선 이름: 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
IUPAC: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium chloride
현지명: 1,3-BIS(2,6-DIISOPROPYLPHENYL)-이미다졸리디늄-염화물
영어명: 1,3-Bis(2,6-diisopropylphenyl)-imidazolidinium-chloride
분자식: C27H41ClN2
분자량: 429.08

이름 및 동의어

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chlorideRefChem:413930627-991-8258278-25-01,3-Bis-(2,6-diisopropylphenyl)imidazolinium chlorideMFCD073697961,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chlorideC27H39ClN2N,N'-(2,6-Diisopropylphenyl)dihydroimidazolium chlorideDS-13499EN300-73631901H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydro-, chloride (1:1)

이름 더 보기

1,3-BIS(2,6-DIISOPROPYLPHENYL)-이미다졸리디늄-염화물SIPr.HCl1,3-Bis-(2,6-diisopropylphenyl)imidazolidinium1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-1-ium1,3-Bis(2,6-diisopropylphenyl)imidazolidinium choride1,3-Bis-(2,6-diisopropylphenyl)imidazolidiniumSIPr HCl1,3-Bis(2,6-diisopropylphenyl)imidazoliniumChloride>1,3-Bis(2,6-diisopropylphenyl)imidazolium Hydrochloride1,3-Bis(2,6-diisopropylphenyl)-imidazolidinium-chloride1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-1-ium

1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride, 97%1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-1-ium;chlorideC27H39ClNSCHEMBL7393701,3-Bis[2,6-bis(isopropyl)phenyl]-4,5-dihydro-1H-imidazol-3-ium chlorideAKOS016002955CS-W011635BP-21295

데이터베이스 식별자

CAS: 258278-25-0
PubChem CID: 2734918
EC Number: 627-991-8

물성

구조 계산 물성

극성 표면적: 6.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 466

물리화학적 성질

녹는점: 289 · 289-293 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 노란색으로
InChI: InChI=1S/C27H40N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-14,18-21H,15-17H2,1-8H3;1H
InChIKey: LWPXTYZKAWSRIP-UHFFFAOYSA-M
SMILES: N1(CCN(C2=C(C=CC=C2C(C)C)C(C)C)C1)C1C(=CC=CC=1C(C)C)C(C)C.Cl

화학적 성질

White to yellow crystalline powder

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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.