1,3-비스(2,6-디이소프로필페닐)이미다졸륨클로라이드

1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride

HCID 2734913

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 250285-32-6
표준 SMILES: CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1.[Cl-]
InChIKey: AVJBQMXODCVJCJ-UHFFFAOYSA-M
분자식: C27H37ClN2
평균 분자량: 425 g/mol
단동위원소 질량: 424.26452686

이름 및 식별자

우선 이름: 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride
IUPAC: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride
현지명: 1,3-비스(2,6-디이소프로필페닐)이미다졸륨클로라이드
영어명: 1,3-Bis (2,6-diisopropylphenyl) imidazolium chloride
분자식: C27H37ClN2
분자량: 425.05

이름 및 동의어

250285-32-61,3-Bis(2,6-diisopropylphenyl)imidazolium chlorideDTXSID403705721,3-bis[2,6-diisopropylphenyl]imidazolium chlorideRefChem:218022DTXCID60321607627-434-91,3-bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium chlorideIPr.HClMFCD026845452,5-Bis(2,6-diisopropylphenyl)imidazolium chloride1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1H-imidazolium chloride

이름 더 보기

1,3-비스(2,6-디이소프로필페닐)이미다졸륨클로라이드1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOLIUM CHLORIDE1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1)ium ChL1,3-Bis(2,6-diisopropyLVLOOKUP(C13,[1]Export!$D:$H,5,0)1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOLI&1,3-bis(2,6-diisopropylphenyl)-1H-iMidaz

SCHEMBL3603161,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chlorideDS-1503EN300-2645731,3-bis(2,6-di-isopropylphenyl)imidazolium chloride1,3-Bis(2,6-diisopropylphenyl)imidazolium (chloride)1,3-bis[2,6-bis(propan-2-yl)phenyl]-3H-1lambda5-imidazol-1-ylium chlorideC27H37ClN2

데이터베이스 식별자

CAS: 250285-32-6
PubChem CID: 2734913
DTXSID: DTXSID40370572
ChEMBL: CHEMBL5285330
EC Number: 627-434-9

물성

구조 계산 물성

극성 표면적: 8.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 421

물리화학적 성질

녹는점: 278 °C · 278 °C (dec.)(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
색상: 흰색, 회백색 또는 황갈색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C27H37N2.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;/h9-21H,1-8H3;1H/q+1;/p-1
InChIKey: AVJBQMXODCVJCJ-UHFFFAOYSA-M
SMILES: C1(N2C=C[N+](C3C(=CC=CC=3C(C)C)C(C)C)=C2)C(=CC=CC=1C(C)C)C(C)C.[Cl-]

화학적 성질

White to Light yellow to Light orange powder to crystal. soluble in methanol.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (29.9%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (29.9%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 1건

용도1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is also used in organic synthesis, as well as a pharmaceutical intermediate. 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is used as a reagent in the synthesis of NHC Copper(I) complexes bearing dipyridylamine ligands which exhibit interesting luminescent properties and are potential candidates for organic light-emitting diode applications. 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is also used as a reagent in the synthesis of 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic Acid Methyl Ester (D476595); the methyl ester derivative of the drug Vadimezan (V084950).