2-이소프로필리미디아졸

1H-Imidazole, 2-(1-methylethyl)-

HCID 123457

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36947-68-9
표준 SMILES: CC(C)c1ncc[nH]1
InChIKey: FUOZJYASZOSONT-UHFFFAOYSA-N
분자식: C6H10N2
평균 분자량: 110.16 g/mol
단동위원소 질량: 110.08439832

이름 및 식별자

우선 이름: 1H-Imidazole, 2-(1-methylethyl)-
IUPAC: 2-propan-2-yl-1H-imidazole
현지명: 2-이소프로필리미디아졸
영어명: 2-Isopropylimidazole
분자식: C6H10N2
분자량: 110.16

이름 및 동의어

2-Isopropylimidazole36947-68-92-Isopropyl-1H-imidazole1H-Imidazole, 2-(1-methylethyl)-A92TUY97G2EINECS 253-286-6DTXSID1068013RefChem:438271DTXCID60392692-propan-2-yl-1H-imidazole2-(propan-2-yl)-1H-imidazoleMFCD00014486

이름 더 보기

2-이소프로필리미디아졸2-이소프로필이미다졸N-Isopropylimdazole2-lsopropylimidazole2-Isopropylglyoxaline2-Isopropylimidazole>2-Isopropylimidazole 98%2-Isopropylimidazole,97%2-Isopropylimidazole ,99%

2-isopropyl imidazole2-Isopropyl-1H-imidazole #2-(1-methylethyl)-1H-imidazoleZ3352432962-IsopropylimdazoleGEMIFIOXACINMESYLATEUNII-A92TUY97G22-isopropylimidazol

데이터베이스 식별자

CAS: 36947-68-9
PubChem CID: 123457
DTXSID: DTXSID1068013
UNII: A92TUY97G2
EC Number: 253-286-6
Nikkaji: J150.752D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 70.9

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: 129 · 129-131 °C (lit.)
끓는 점: 256 · 256-260 °C (lit.)
밀도: 0.9894 · 0.9894 (rough estimate)
굴절률: 1.5 · 1.5000 (estimate)
인화점: 256 · 256-260°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 14.3 · 14.30±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 노란색, 연한 갈색까지
BRN: 107804 · 107804
InChI: 1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey: FUOZJYASZOSONT-UHFFFAOYSA-N
SMILES: CC(C)c1ncc[nH]1
NIST: 2 · 2-Isopropylimidazole(36947-68-9)
EPA: 1 H-Imidazole, · 1H-Imidazole, 2-(1-methylethyl)- (36947-68-9)

화학적 성질

Yellow solid

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 105 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

1H-Imidazole, 2-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 2-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1H-Imidazole, 2-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

1H-Imidazole, 2-(1-methylethyl)-: ACTIVE

응용 분야

용도2-Isopropylimidazole is a imidazole based compound, classified as a diazole and as an alkaloid. 2-Isopropylimidazole was investigated in animal studies as a new bone imaging agent.

일반 설명2-Isopropylimidazole is an heterocyclic building block. The nitration of 2-isopropylimidazole has been reported.