CAS 1739-84-0 1,2-Dimethylimidazole (HCID 15617)

概要

1,2-dimethylimidazole is a member of imidazoles.

名称と識別子

優先名称: 1,2-Dimethylimidazole
IUPAC: 1,2-dimethylimidazole
現地名: 1,2-ジメチルイミダゾール
英語名: 1,2-Dimethylimidazole
分子式: C5H8N2
分子量: 96.13

名称と別名

1,2-Dimethylimidazole1739-84-01H-Imidazole, 1,2-dimethyl-Q41BC3GRJBNSC-111174DTXSID2061939RefChem:411784DTXCID3035551217-101-21,2-Dimethyl-1H-imidazoleImidazole, 1,2-dimethyl-N,2-Dimethylimidazole

名称をさらに表示

1,2-ジメチルイミダゾール1,2-ジメチル-1H-イミダゾール1,2‐ジメチルイミダゾールDiMethyliMidazole1,2-dimethyl-1h-imidazol39-41℃1,2-DimethyLLupragen DMILUPRAGEN(R) DMIAKOS BBS-00004287

MFCD00005294NSC 1111741,2-dimethylimidazol1,2-Dimethylimidazole, >98%1H-Imidazole, dimethyl-EINECS 217-101-2UNII-Q41BC3GRJBNSC111174

データベース識別子

CAS: 1739-84-0
PubChem CID: 15617
DTXSID: DTXSID2061939
ChEBI: CHEBI:190967
UNII: Q41BC3GRJB
EC Number: 217-101-2
Nikkaji: J132.800J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 63.1

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Imidazoles

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Density1.084 @25 °C

Boiling Point204 °C @760 [mm Hg]

Vapor Pressure1 [mm Hg] @20 °C

物理化学的性質

融点: 37 · 37-39 °C (lit.)
沸点: 204 °C · 204 °C (lit.)
比重(密度): 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
蒸気圧: 1 mm · 1 mm Hg ( 20 °C)
屈折率: 1.5 · 1.5000 (estimate)
闪点: 198 °F · 198 °F
貯蔵温度: 30 °C · Store below +30°C.
酸解離定数(Pka): 7.76 · 7.76±0.25(Predicted)
外見: 低融点質量
比重: 1.084 · 1.084
色: 無色～黄色
PH: 12.6 · 12.6 (500g/l, H2O, 20℃)
臭い (Odor): Amine-like odor
水溶解度: 水に溶ける。
BRN: 108457 · 108457
Henry's Law Constant: 4.3 · 4.3×101 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
InChIKey: GIWQSPITLQVMSG-UHFFFAOYSA-N
SMILES: Cc1nccn1C
LogP: 0.11 at · 0.11 at 25℃
CAS データベース: 1739 · 1739-84-0(CAS DataBase Reference)
NISTの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl-(1739-84-0)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl- (1739-84-0)

化学的性質

化学的特性colorless to yellow low melting mass

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: 1H-Imidazole, 1,2-dimethyl-

1H-Imidazole, 1,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1,2-dimethyl- 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)

Status: Active Update: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11565

1,2-Dimethylimidazole: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses tremor and convulsions in intraperitoneal lethal-dose studies of mice; [RTECS] A skin and strong eye irritant (may cause eye injury); Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

安全と保護具

Protective Action Criteria (PAC) · 3 件

3.9 [mg/m3]

43 [mg/m3]

260 [mg/m3]

安全データ

wgk: 2
tsca: TSCA listed
rtecs: NI4838854
ridadr: UN 3263 8/PG 2
毒性: LD50 orally in Rabbit: 1300 mg/kg
hs_code: 29332990
risk_code: 22-38-41
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 24-26-2
hazard_class: 8
packing_group: III
自然発火温度: 896 °F
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesCatalyst

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1H-Imidazole, 1,2-dimethyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料、緩衝剤。

使用1,2-Dimethylimidazole is used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It also can be used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.

一般的な説明1,2-Dimethylimidazole reacts with copper(II) tetraacetate to yield cis-bis(acetato)bis(1,2-dimethylimidazole) copper(II) complex. It undergoes Menschutkin reaction with benzyl bromide to yield 3-benzyl-1,2-dimethylimidazolium bromide and kinetics of reaction was studied in various ionic liquids and molecular organic solvents.

調製方法 · 1 件

純化方法Crystallise the imidazole from *benzene, dry and store it at 0-4o. The picrate crystallises from H2O or EtOH with m 181o. [Balaban & Pymann J Chem Soc 125 1570 1924, Gorun et al. J Am Chem Soc 109 4244 1987, Beilstein 23 H 66, 23 II 56, 23 III/IV 594.]

上流・下流製品情報

上流原料

2-メチルイミダゾール 1,2-Ethenediylbis(oxy) (9CI)アセトアルデヒド炭酸ジメチルメチルアミンアンモニア水

下流製品

1,2-ジメチル-1H-イミダゾール-5-カルバルデヒド 2-メチル-2-イミダゾリン 5-ブロモ-1,2-ジメチル-1H-イミダゾール 1-ethyl-2,3-diMethyliMidazoliuM iodide

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化合物ノート

読み込み中…

1,2-ジメチルイミダゾール

基本情報

概要