uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541461B2
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IDENTITY
结构与身份
- 标准SMILES
- Brc1ccc(C2CO2)cc1
- InChIKey
- NNINSLOEPXEZOZ-UHFFFAOYSA-N
- 分子式
- C8H7BrO
- 平均分子量
- 199.04 g/mol
- 单同位素质量
- 197.96803
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 12.5 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 118
GHS
GHS分类
GHS Classification
Warning
H226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H341 (13.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P318, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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
Hazard Classes and Categories
Flam. Liq. 3 (91.1%)；Acute Tox. 4 (91.1%)；Muta. 2 (13.3%)
ALIASES
名称与别名
2-(4-Bromophenyl)oxirane32017-76-8DTXSID10953896RefChem:457113DTXCID001004223628-308-6p-Bromostyrene oxide4-Bromostyrene oxideOxirane, (4-bromophenyl)-MFCD01656787(4-Bromophenyl)oxirane(S)-4-Bromostyrene oxidep-Bromostyrene 7,8-oxideOxirane, (p-bromophenyl)-CCRIS 8251-Bromo-4-(epoxyethyl)benzeneBenzene, 1-bromo-4-(epoxyethyl)-BRN 01143222-(4-bromophenyl)-oxirane2-(4-bromo-phenyl)-oxirane
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 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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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198437B2
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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