1-イソプロピルイミダゾール

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 · 1-Isopropyl-1H-imidazole · -Isopropylimidazole · 1-Isopropylimidazole · 1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole · 1-(1-methylethyl)-1H-Imidazole · 1H-Imidazole, 1-(1-methylethyl)-

https://huagongshe.com/ja/chemical/10176113

識別子と物理属性

CAS No.	4532-96-1
分子式	C6H10N2
平均分子量	110.16 g/mol
単同位体質量	110.08439833 g/mol
SMILES	CC(C)n1ccnc1
InChIKey	IPIORGCOGQZEHO-UHFFFAOYSA-N
PubChem CID	10176113
EC No.	805-859-2
DTXSID	DTXSID4074645
現地名	1-イソプロピルイミダゾール

化学・物理的性質

XLogP	0.6
極性表面積	17.8
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
沸点	104°C/7mmHg(lit.)
密度	0.97
屈折率	1.4800 to 1.4840
貯蔵条件	Sealed in dry,Room Temperature
pKa（酸解離定数）	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	4532-96-1
EPAの化学物質情報	1H-Imidazole, 1-(1-methylethyl)- (4532-96-1)

安全性と法規制

GHS 分類	DangerH227 (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 exposureRespiratory 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.
規制情報	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and Categories	Flam. 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%)
TSCA 収載状態	TSCA listed
税関コード	2933998090
消防法	危-4-3-III

用途

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].