4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole

HCID 21985398

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基本情報

CAS: 824431-97-2
標準SMILES: Cc1nc(I)cn1CC(F)(F)F
InChIKey: GGSVXDGOBFDIRX-UHFFFAOYSA-N
分子式: C6H6F3IN2
平均分子量: 290.02 g/mol
単同位体質量: 289.95278

名称と識別子

優先名称: 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
IUPAC: 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)imidazole
英語名: 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
分子式: C6H6F3IN2
分子量: 290.02

名称と別名

824431-97-24-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazoleDTXSID80621191RefChem:293519DTXCID80571945843-867-81H-Imidazole, 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)-4-IODO-2-METHYL-1-(2,2,2-TRIFLUOROETHYL)IMIDAZOLE4-Iodo-2-methyl-1-(2,2,2-trifluoro-ethyl)-1H-imidazoleSCHEMBL2380058ZHB43197MFCD27929281

名称をさらに表示

DB-229159CS-0376963F83907EN300-4518115F760866A1-10914

データベース識別子

CAS: 824431-97-2
PubChem CID: 21985398
DTXSID: DTXSID80621191
EC Number: 843-867-8

物性

構造計算による物性

XLogP: 2.1
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: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 161

物理化学的性質

沸点: 280 · 280.0±40.0 °C(Predicted)
比重(密度): 1.97 · 1.97±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 4.22 · 4.22±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.