HCID66786

Benzenesulfonic acid, 2-amino-5-nitro-

2-amino-5-nitrobenzenesulfonic acid

C6H6N2O5S218.19 g/molCAS 96-75-3

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IDENTITY

结构与身份

标准SMILES: Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
InChIKey: LTASFWDWBYFZQQ-UHFFFAOYSA-N
分子式: C6H6N2O5S
平均分子量: 218.19 g/mol
单同位素质量: 217.99974247

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 135 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 316

GHS

GHS分类

GHS Classification

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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

Regulatory Information

Status: Active Update: 20-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20097

Hazard Classes and Categories

Eye Irrit. 2 (100%)

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 20-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20097

USES

用途与制造

General Manufacturing Information

Benzenesulfonic acid, 2-amino-5-nitro-: ACTIVE

ALIASES

名称与别名

共 42 条

2-Amino-5-nitrobenzenesulfonic acid96-75-3Benzenesulfonic acid, 2-amino-5-nitro-4-Nitroaniline-2-sulfonic acidNSC 7540EINECS 202-531-5S1VW6T6H7Dp-nitroanilin-o-sulphonic acidBRN 2654142p-nitroaniline-o-sulphonic acidAI3-50019NSC-7540UNII-S1VW6T6H7DDTXSID3059139CHEBI:669253-14-00-01902 (Beilstein Handbook Reference)RefChem:117841DTXCID4048989202-531-54-Nitro-2-sulfoaniline

REACTIONS

相关反应

15 条

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101800B2

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939524B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582754B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582626B2

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08236948B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08546602B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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