HCID518871

2,4-Bis(trifluoromethyl)benzyl bromide

1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene

C9H5BrF6307.03 g/molCAS 140690-56-8

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IDENTITY

结构与身份

标准SMILES: FC(F)(F)c1ccc(CBr)c(C(F)(F)F)c1
InChIKey: SWFFFUJOWAJJCH-UHFFFAOYSA-N
分子式: C9H5BrF6
平均分子量: 307.03 g/mol
单同位素质量: 305.94788

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 233

GHS

GHS分类

GHS Classification

Danger

H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.

HAZARDS

危害信息

Regulatory Information

Benzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Flam. Liq. 3 (88.6%)；Skin Corr. 1B (100%)

REGULATORY

法规信息

Regulatory Information

Benzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 31 条

140690-56-82,4-Bis(trifluoromethyl)benzyl bromideDTXSID90333839RefChem:82223DTXCID00284929628-148-7SWFFFUJOWAJJCH-UHFFFAOYSA-N1-(Bromomethyl)-2,4-bis(trifluoromethyl)benzeneBENZENE, 1-(BROMOMETHYL)-2,4-BIS(TRIFLUOROMETHYL)-MFCD000103062,4-bis(trifluoromethyl)benzylbromide2,4-bis(trifluoromethyl)-1-(bromomethyl)benzeneSCHEMBL627838CK1012SBB0709562,4-bis-trifluoromethyl-benzylbromideAKOS0158527562,4-bis-trifluoromethyl benzyl bromide2,4-bis-trifluoromethyl-benzyl bromidePS-9881

REACTIONS

相关反应

53 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193378B2

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566733B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07268231B2

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