CAS 36947-68-9 1H-Imidazole, 2-(1-methylethyl)- (HCID 123457)

名称と識別子

優先名称: 1H-Imidazole, 2-(1-methylethyl)-
IUPAC: 2-propan-2-yl-1H-imidazole
現地名: 2-イソプロピルイミダゾール
英語名: 2-Isopropylimidazole
分子式: C6H10N2
分子量: 110.16

名称と別名

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

名称をさらに表示

2-イソプロピルイミダゾール2-イソプロピルグリオキサリン2-イソプロピル-1H-イミダゾール2-(1-メチルエチル)-1H-イミダゾールN-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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.2
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 70.9

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 129 · 129-131 °C (lit.)
沸点: 256 · 256-260 °C (lit.)
比重(密度): 0.9894 · 0.9894 (rough estimate)
屈折率: 1.5 · 1.5000 (estimate)
闪点: 256 · 256-260°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 14.3 · 14.30±0.10(Predicted)
外見: 粉
色: 白色から黄色、薄茶色
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
CAS データベース: 36947 · 36947-68-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Isopropylimidazole(36947-68-9)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 2-(1-methylethyl)- (36947-68-9)

化学的性質

化学的特性Yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

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

応用分野

使用2-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.

一般的な説明2-Isopropylimidazole is an heterocyclic building block. The nitration of 2-isopropylimidazole has been reported.