HCID2736315

5-Bromo-2-fluorobenzoic acid

C7H4BrFO2219.01 g/molCAS 146328-85-0

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IDENTITY

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

已同步

XLogP: 3.1
极性表面积: 37.3 Å²
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

共 32 条

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

相关反应

71 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427612B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835648B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835648B2

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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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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 · US08202865B2

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642768B2

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