HCID88873

2-Chloro-5-(fluorosulpho)benzoic acid

2-chloro-5-fluorosulfonylbenzoic acid

C7H4ClFO4S238.62 g/molCAS 21346-66-7

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc(S(=O)(=O)F)ccc1Cl
InChIKey: HXVUCIYXBTYQLK-UHFFFAOYSA-N
分子式: C7H4ClFO4S
平均分子量: 238.62 g/mol
单同位素质量: 237.9502856

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 79.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 323

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

Hazard Classes and Categories

Skin Corr. 1B (100%)；Eye Dam. 1 (97.4%)

ALIASES

名称与别名

共 27 条

2-Chloro-5-(fluorosulfonyl)benzoic acid21346-66-72-Chloro-5-(fluorosulpho)benzoic acidDTXSID90175615EINECS 244-338-9RefChem:469216DTXCID8098106244-338-92-chloro-5-fluorosulfonylbenzoic acidMFCD000074182-Chloro-5-fluorosulfonyl-benzoic acidBenzoic acid, 2-chloro-5-(fluorosulfonyl)-BC9AEF86JWSCHEMBL394260SBB000777AKOS0273832202-Chloro-5-(fluorosulfonyl)benzoicacidVS-0013NCGC00664816-01SY133312

REACTIONS

参与反应

12 条

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

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

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202859B2

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05488055

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367661B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101620B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595314B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595322B2

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