HCID89892

4-Chloro-5-chlorosulfonyl-3-nitrobenzoic acid

4-chloro-3-chlorosulfonyl-5-nitrobenzoic acid

C7H3Cl2NO6S300.07 g/molCAS 22892-95-1

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Cl)c1
InChIKey: AFRAGFLBINOHDV-UHFFFAOYSA-N
分子式: C7H3Cl2NO6S
平均分子量: 300.07 g/mol
单同位素质量: 298.9058134

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 126 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 427

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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

Eye Dam. 1 (100%)

ALIASES

名称与别名

共 30 条

4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acidT9UC8TJB584-chloro-5-chlorosulfonyl-3-nitrobenzoic acidBenzoic acid, 4-chloro-3-(chlorosulfonyl)-5-nitro-DTXSID901774324-CHLORO-3-(CHLOROSULPHONYL)-5-NITROBENZOIC ACIDBENZOIC ACID, 4-CHLORO-3-(CHLOROSULPHONYL)-5-NITRO-RefChem:198638DTXCID709992322892-95-14-Chloro-3-chlorosulfonyl-5-nitrobenzoic acidMFCD00034790C7H3Cl2NO6SBumetanide Impurity 9Bumetanide Impurity 324-chloro-5-chlorosulphonyl-3-nitrobenzoicacidEINECS 245-309-3UNII-T9UC8TJB584-Chloro-3-(chlorosulfonyl)-5-nitrobenzoicacid

REACTIONS

参与反应

11 条

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

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uspto-grants-1976_07 · 10.6084/m9.figshare.5104873.v1 · US03971819

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uspto-grants-1976_07 · 10.6084/m9.figshare.5104873.v1 · US03971819

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uspto-grants-1976_10 · 10.6084/m9.figshare.5104873.v1 · US03985777

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uspto-grants-1976_10 · 10.6084/m9.figshare.5104873.v1 · US03985777

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uspto-grants-1976_09 · 10.6084/m9.figshare.5104873.v1 · US03982018

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uspto-grants-1976_02 · 10.6084/m9.figshare.5104873.v1 · US03939267

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uspto-grants-1976_01 · 10.6084/m9.figshare.5104873.v1 · US03933906

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