HCID21985398

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

4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)imidazole

C6H6F3IN2290.02 g/molCAS 824431-97-2

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IDENTITY

结构与身份

标准SMILES: Cc1nc(I)cn1CC(F)(F)F
InChIKey: GGSVXDGOBFDIRX-UHFFFAOYSA-N
分子式: C6H6F3IN2
平均分子量: 290.02 g/mol
单同位素质量: 289.95278

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 17.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 161

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 18 条

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-imidazoleSCHEMBL2380058ZHB43197MFCD27929281DB-229159CS-0376963F83907EN300-4518115F760866A1-10914

REACTIONS

参与反应

6 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091222B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091222B2

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518945B2

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