1-(2,4-ジクロロフェニル)-2-(1-イミダゾリル)エタノール

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol

HCID 32238CAS 24155-42-8

基本情報

標準SMILES
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIKey
UKVLTPAGJIYSGN-UHFFFAOYSA-N
分子式
C11H10Cl2N2O
平均分子量
257.11 g/mol
単同位体質量
256.0170183

名称と識別子

優先名称
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
IUPAC
1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
現地名
1-(2,4-ジクロロフェニル)-2-(1-イミダゾリル)エタノール
英語名
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
分子式
C11H10Cl2N2O
分子量
257.12

名称と別名

24155-42-8CP4AM80T681H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-1-(2-(2,4-Dichlorophenyl)-2-hydroxyethyl)-1H-imidazole1-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1H-imidazoleRefChem:390687(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanolalpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
名称をさらに表示
1-(2,4-ジクロロフェニル)-2-(1-イミダゾリル)エタノールα-(1H-イミダゾール-1-イルメチル)-2,4-ジクロロベンゼンメタノール1-(β-ヒドロキシ-2,4-ジクロロフェネチル)-1H-イミダゾール1-(2,4-ジクロロフェニル)-2-(1H-イミダゾール-1-イル)エタノールα-(2,4-ジクロロフェニル)-1H-イミダゾール-1-エタノール1-[2-(2,4-ジクロロフェニル)-2-ヒドロキシエチル]イミダゾールRAC-1-(2,4-ジクロロフェニル)-2-(1-イミダゾリル)エタノール1-(2,4-ジクロロフェニル)-2-(1H-イミダゾール-1-イル)エタン-1-オールImidazole alcoholIMIDAZOLE ETHANOLt824r14821MIC IIISQ-132831-[2-(2,4-DichL)-2-hydroxyethyL
MFCD000447081-(2,4-DICHLORO-PHENYL)-2-IMIDAZOL-1-YL-ETHANOLCHEMBL13271-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]imidazole(1RS)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol1-(2,4-dichlorophenyl)-2-imidazolylethan-1-olEINECS 246-042-5BRN 0617090

データベース識別子

CAS
24155-42-8
PubChem CID
32238
DTXSID
DTXSID3074737
ChEMBL
CHEMBL1327
UNII
CP4AM80T68
EC Number
246-042-5
Nikkaji
J86.829I

物性

構造計算による物性

XLogP
2.6
極性表面積
38.1 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
3
重原子数
16

物理化学的性質

融点
134 · 134-138 °C
沸点
468.5 · 468.5±45.0 °C(Predicted)
比重(密度)
1.4133 · 1.4133 (rough estimate)
蒸気圧
0 Pa · 0Pa at 20℃
屈折率
1.55 · 1.5500 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性cream-coloured to beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (81%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (15.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (17.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (39.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (15.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (15.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H371 (15.5%): May cause damage to organs [Warning Specific target organ toxicity, single exposure];H400 (17.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H411 (19%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 8 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 InformationStatus: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18973;Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12252
Hazard Classes and CategoriesAcute Tox. 4 (81%);Acute Tox. 4 (15.5%);Skin Irrit. 2 (17.2%);Eye Irrit. 2 (39.7%);Acute Tox. 4 (15.5%);STOT SE 3 (15.5%);STOT SE 2 (15.5%);Aquatic Acute 1 (17.2%);Aquatic Chronic 2 (19%)

法規制情報

Regulatory InformationStatus: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18973;Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12252

安全データ

wgk
3
rtecs
NI5485000
hs_code
2933290000
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
38-28B-36-26

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

応用分野

用途有機合成原料。

使用Intermediate in the preparation of Miconazole. An impurity in the synthesis of Fenticonazole. An impurity in the synthesis of Ketoconazole.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东瑞博恩新材料科技有限公司15064961989 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

関連反応

29 件

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