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

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

1-이소프로필이미다졸-Isopropylimidazole1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole1-(1-methylethyl)-1H-Imidazole

SCHEMBL86131SCHEMBL1396098SCHEMBL2500246SCHEMBL2990565SCHEMBL4267268SCHEMBL6104557SBB046689AKOS002677301

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 70

물리화학적 성질

끓는 점: 104 °C/7mmHg · 104°C/7mmHg(lit.)
밀도: 0.97 · 0.97
굴절률: 1.48 to · 1.4800 to 1.4840
저장 조건: Sealed in dry,Room Temperature
산도 계수 (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
EPA: 1 H-Imidazole, · 1H-Imidazole, 1-(1-methylethyl)- (4532-96-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

tsca: TSCA listed
HS 번호: 2933998090

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도1-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].