HCID66623

2,4-Diaminobenzenesulfonic acid

C6H8N2O3S188.21 g/molCAS 88-63-1

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Nc1ccc(S(=O)(=O)O)c(N)c1
InChIKey: JVMSQRAXNZPDHF-UHFFFAOYSA-N
分子式: C6H8N2O3S
平均分子量: 188.21 g/mol
单同位素质量: 188.0255633

COMPUTED

结构计算性质

已同步

XLogP: -1
极性表面积: 115 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 246

PROPERTIES

实验与物化性质

Collision Cross Section

137.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044465]

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 11.1% (10 of 90) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (81.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 10 of 90 reports by companies.；There are 5 notifications provided by 80 of 90 reports by companies with hazard statement code(s).；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

Chemical: Benzenesulfonic acid, 2,4-diamino-

Status: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17689；Status: Active Update: 11-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27862

Hazard Classes and Categories

Skin Irrit. 2 (83.3%)；Skin Sens. 1 (81.1%)；Eye Irrit. 2 (83.3%)

REGULATORY

法规信息

Regulatory Information

Chemical: Benzenesulfonic acid, 2,4-diamino-

USES

用途与制造

General Manufacturing Information

Benzenesulfonic acid, 2,4-diamino-: ACTIVE

ALIASES

名称与别名

共 60 条

2,4-Diaminobenzenesulfonic acid88-63-11,3-Phenylenediamine-4-sulfonic acido-Aminosulfanilic acidBenzenesulfonic acid, 2,4-diamino-1,3-Diaminobenzene-4-sulfonic acidm-Phenylenediamine-4-sulfonic acid1,3-Diaminobenzene-6-sulfonic acidDTXSID3044465NSC-7835863X637R5QDTXCID1024465RefChem:822751,3-phenylenediamine-4-sulfo acid201-846-52,4-diaminobenzene-1-sulfonic acid2,4-Diaminobenzenesulphonic acidm-Phenylenediaminesulfonic acid1,3-Diaminobenzenesulfonic acidMFCD00035772

REACTIONS