HCID2782694

4'-Fluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid

5-(4-fluorophenyl)-2-hydroxybenzoic acid

C13H9FO3232.21 g/molCAS 22510-33-4

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IDENTITY

结构与身份

标准 SMILES: O=C(O)c1cc(-c2ccc(F)cc2)ccc1O
InChIKey: CUXSCHTUWINJSV-UHFFFAOYSA-N
分子式: C13H9FO3
平均分子量: 232.21 g/mol
单同位素质量: 232.05357231

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 274

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 24 条

4'-Fluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid4'-fluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid4'-Fluoro-4-hydroxy(1,1'-biphenyl)-3-carboxylic acid4'-fluoro-4-hydroxy-(1,1'-biphenyl)-3-carboxylic acidRefChem:506118856-184-522510-33-45-(4-fluorophenyl)-2-hydroxybenzoic acidMFCD004344664'-Fluoro-4-hydroxy-biphenyl-3-carboxylic acid5-(4-fluorophenyl)-2-hydroxy-benzoic AcidSCHEMBL330405CHEMBL124299DTXSID30382220CUXSCHTUWINJSV-UHFFFAOYSA-N5-(p-fluorophenyl) salicylic acidSBB097906AKOS0041192262-hydroxy-5-(4'-fluorophenyl)-benzoic acidCS-0238777

REACTIONS

参与反应

3 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID214714

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

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HRID442275

uspto-grants-1977_08

作为反应物

uspto-grants-1977_08 · 10.6084/m9.figshare.5104873.v1 · US04044049

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HRID693297

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

作为反应物

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

查看条件与参与物