HRID32719
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427612B2
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结构与身份
- 标准SMILES
- O=C(O)c1cc(Br)ccc1F
- InChIKey
- PEXAZYDITWXYNJ-UHFFFAOYSA-N
- 分子式
- C7H4BrFO2
- 平均分子量
- 219.01 g/mol
- 单同位素质量
- 217.93787
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 163
GHS
GHS分类
GHS Classification
Danger
H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 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
Acute Tox. 3 (93.2%)；Eye Irrit. 2A (11.4%)
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
5-Bromo-2-fluorobenzoic acid146328-85-0DTXSID20371269RefChem:102126DTXCID30322303604-519-9630-182-25-bromo-2-fluoro-benzoic Acid2-fluoro-5-bromobenzoic acidBenzoic acid, 5-bromo-2-fluoro-MFCD001434233-bromo-6-fluorobenzoic acidSCHEMBL25545-Bromo-2-fluorobenzoicacidSCHEMBL30722862SBB0634485-Bromo-2-fluorobenzoic acid, 97%AKOS001309986AB03871AC-3912
REACTIONS
参与反应
HRID77077
uspto-grants-2014_09
作为反应物
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835648B2
查看HRID77079
uspto-grants-2014_09
作为反应物
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835648B2
查看HRID136268
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看HRID196708
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看HRID219840
uspto-grants-2012_06
作为反应物
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202865B2
查看HRID239923
uspto-grants-2014_02
作为反应物
uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642768B2
查看HRID239928
uspto-grants-2014_02
作为反应物
uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642768B2
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