反应SMILES:Oc1cc(F)ccc1Br
HCID2724600

2-Bromo-5-fluorophenol

C6H4BrFO191 g/molCAS 147460-41-1

IDENTITY

结构与身份

标准SMILES
Oc1cc(F)ccc1Br
InChIKey
HUVAOAVBKOVPBZ-UHFFFAOYSA-N
分子式
C6H4BrFO
平均分子量
191 g/mol
单同位素质量
189.94296

COMPUTED

结构计算性质

已同步
XLogP
2.6
极性表面积
20.2 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
9
形式电荷
0
复杂度
99

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 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

来源:PubChem
Regulatory Information

Phenol, 2-bromo-5-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (14.3%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (98%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Phenol, 2-bromo-5-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 30 条
2-Bromo-5-fluorophenol147460-41-1DTXSID50369179RefChem:85771DTXCID00320215604-585-9HUVAOAVBKOVPBZ-UHFFFAOYSA-NMFCD000409392-bromo-5-fluoro-phenol147460-94-4Phenol, 2-bromo-5-fluoro-2-Propenoic acid, 3-[(3-phenyl-2-propenyl)oxy]-, methyl ester, (E,E)-2-bromo-5-fluorphenolSCHEMBL91238SCHEMBL59616882-Bromo-5-fluorophenol, 97%SCHEMBL27688247SCHEMBL30952788SBB091224AKOS005257831

REACTIONS

参与反应

90
HRID13640

uspto-grants-2010_06

作为反应物
HRID 13640 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728137B2

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HRID34014

uspto-grants-2008_09

作为反应物
HRID 34014 方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429609B2

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HRID173527

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

作为反应物
HRID 173527 方程式

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

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HRID190053

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 190053 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID196164

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 196164 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID198343

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 198343 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID244339

uspto-grants-2014_02

作为反应物
HRID 244339 方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08658638B2

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HRID294275

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 294275 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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