HCID42606277

1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methylpyrimidine-2,4-dione

C13H9F4IN2O2428.12 g/molCAS 1150560-54-5

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IDENTITY

结构与身份

标准SMILES: Cc1c(I)c(=O)[nH]c(=O)n1Cc1c(F)cccc1C(F)(F)F
InChIKey: TZBUKGISILNJCR-UHFFFAOYSA-N
分子式: C13H9F4IN2O2
平均分子量: 428.12 g/mol
单同位素质量: 427.96449

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 49.4 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 521

GHS

GHS分类

来源：PubChem

GHS Classification

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H320 (66.7%): Causes eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H361 (66.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 04-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30046

Hazard Classes and Categories

Skin Irrit. 2 (66.7%)；Eye Irrit. 2B (66.7%)；Repr. 2 (66.7%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 04-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30046

ALIASES

名称与别名

共 27 条

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dioneRefChem:422027687-893-61150560-54-51-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methylpyrimidine-2,4-dione1-{[2-Fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneMFCD194413622,4(1H,3H)-Pyrimidinedione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methyl-C13H9F4IN2O21-(2-fluoro-6-trifluoromethyl-benzyl)-5-iodo-6-methyl-1H-pyrimidine-2,4-dione1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methyl-pyrimidine-2,4-dione1-{[2-Fluoro-6-(trifluoromethyl)phenyl]methyl-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methyl-2,4(1H,3H)-PyrimidinedioneL92A2W52NYSCHEMBL1642571DTXSID60654866AKOS022172998SB18004AC-31342

REACTIONS