CAS 4532-96-1 1H-Imidazole, 1-(1-methylethyl)- (HCID 10176113)

名称と識別子

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

名称と別名

4532-96-11H-Imidazole, 1-(1-methylethyl)-1-(propan-2-yl)-1H-imidazoleDTXSID4074645RefChem:438248DTXCID6040402805-859-21-Isopropylimidazole1-Isopropyl-1H-imidazole1-propan-2-ylimidazoleMFCD00234239(methylethyl)imidazole

名称をさらに表示

1-イソプロピルイミダゾール1-イソプロピル-1H-イミダゾール-Isopropylimidazole1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole1-(1-methylethyl)-1H-Imidazole

SCHEMBL86131SCHEMBL1396098SCHEMBL2500246SCHEMBL2990565SCHEMBL4267268SCHEMBL6104557SBB046689AKOS002677301

データベース識別子

CAS: 4532-96-1
PubChem CID: 10176113
DTXSID: DTXSID4074645
EC Number: 805-859-2
Nikkaji: J599.121H

物性

構造計算による物性

XLogP: 0.6
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: 1
重原子数: 8
形式電荷: 0
複雑度: 70

物理化学的性質

沸点: 104 °C/7mmHg · 104°C/7mmHg(lit.)
比重(密度): 0.97 · 0.97
屈折率: 1.48 to · 1.4800 to 1.4840
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 7.15 · 7.15±0.20(Predicted)
InChI: InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3
InChIKey: IPIORGCOGQZEHO-UHFFFAOYSA-N
SMILES: C1N(C(C)C)C=CN=1
CAS データベース: 4532 · 4532-96-1
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1-(1-methylethyl)- (4532-96-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)；Aquatic Chronic 3 (33.3%)

法規制情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

tsca: TSCA listed
hs_code: 2933998090
消防法: 危-4-3-III

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole, 1-(1-methylethyl)-: ACTIVE

応用分野 · 1 件

使用1-isopropylimidazole (ipim) and 1-phenylimidazole (phim) are derivatives of Antimicrobially inactive imidazole. They could be used for complexation with gold(III) and corresponding complexes [AuCl3(im)], [AuCl3(ipim)] and [AuCl3(phim)] were used as model compounds for the synthesis and structural characterization of analogous gold complexes, [AuCl3(ctz)], [AuCl3(ecz)] [AuCl3(tcz)] and [AuCl3(vcz)], containing clinically used antifungal azoles, clotrimazole (ctz), econazole (ecz), tioconazole (tcz) and voriconazole (vcz)[1].