2,4-Diaminobenzenesulfonic acid (HCID 66623)

名称と識別子

優先名称: 2,4-Diaminobenzenesulfonic acid
IUPAC: 2,4-diaminobenzenesulfonic acid
現地名: 1,3-フェニレンジアミン-4-スルホン酸
英語名: 2,4-Diaminobenzenesulfonic acid
分子式: C6H8N2O3S
分子量: 188.2

名称と別名

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-7835863X637R5QDTXCID1024465

名称をさらに表示

1,3-フェニレンジアミン-4-スルホン酸1,3-ジアミノベンゼン-4-スルホン酸2,4-ジアミノベンゼンスルホン酸MPDSA3-AMINO-4-SULFOANILINE2,4-DIAMINO-1-SULFOBENZENE4-Sulfo-1,3-diaminobenzenem-Diaminobenzenesulfonicacid2,4-diamino-benzenesulfonicaci1,3-Phenylendiamin-4-sulfonsure

RefChem:822751,3-phenylenediamine-4-sulfo acid201-846-52,4-diaminobenzene-1-sulfonic acid2,4-Diaminobenzenesulphonic acidm-Phenylenediaminesulfonic acid1,3-Diaminobenzenesulfonic acidMFCD00035772

データベース識別子

CAS: 88-63-1
PubChem CID: 66623
DTXSID: DTXSID3044465
ChEMBL: CHEMBL3184102
UNII: 863X637R5Q
EC Number: 201-846-5
Nikkaji: J54.504J

物性

構造計算による物性

XLogP: -1
極性表面積: 115 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 246

実験および物理化学的性質

Collision Cross Section137.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044465]

物理化学的性質

融点: 260 · 260-266 °C (dec.)
沸点: 500 °C · 500°C (estimate)
比重(密度): 1.366 · 1.366 (estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.649 · 1.6490 (estimate)
貯蔵温度: -20 °C · -20°C Freezer, Under inert atmosphere
溶解性: DMSO（微量、加熱）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 2.99 · 2.99±0.10(Predicted)
色: 白色～淡黄色
水溶解度: 1000 g/L · 1000g/L at 25℃
BRN: 2694057 · 2694057
InChI: 1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
InChIKey: JVMSQRAXNZPDHF-UHFFFAOYSA-N
SMILES: Nc1ccc(c(N)c1)S(O)(=O)=O
LogP: -4.65 · -4.65
CAS データベース: 88 · 88-63-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenesulfonic acid, 2,4-diamino- (88-63-1)

化学的性質

化学的特性brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

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

法規制情報

Regulatory Information · 2 件

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: DB5900000
ridadr: 1759
hs_code: 29309090
risk_code: 36/38-43-36/37/38
化審法: (3)-2058
hazard_code: Xi
safety_code: 26-36/39-37/39-36
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonic acid, 2,4-diamino-: ACTIVE

応用分野

使用2,4-Diaminobenzenesulfonic acid was used in preparation of series of sulfonated homo- and random co-polyimides.

一般的な説明2,4-Diaminobenzenesulfonic acid is an sulfonated aromatic amine and its aerobic biodegradation was reported.

調製方法 · 1 件

2,4-Diaminobenzenesulfonic acid is obtained by sulfonating a solution of m-phenylenediamine in 100% sulfuric acid with oleum at 155 ℃, adding water to the sulfonation mixture, desulfonating the resulting disulfonic acids at 140 ℃, and isolating the free acid at 10 ℃; yield 93%. Another process starts from 1-chloro-2,4-dinitrobenzene, which, as an alcoholic solution, is reacted with sodium sulfite solution to form 2,4-dinitrobenzenesulfonic acid, from which the end product is obtained by reduction with iron according to BE′CHAMP.

上流・下流製品情報

上流原料

下流製品

Reactive Brilliant Blue M-BR Mordant Brown 49 1-アミノ-4-[[3-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-4-スルホフェニル]アミノ]-9,10-ジヒドロ-9,10-ジオキソ-2-アントラセンスルホン酸 C.I.リアクティブブルー194 2,5-ジクロロ-4-[4-[[5-[[4-クロロ-6-[(4-スルホフェニル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]-2-スルホフェニル]アゾ]-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-1-イル]ベンゼンスルホン酸三ナトリウムプロシオンネービーH-ER 2,5-ジクロロ-4-[4-[[5-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-2-スルホフェニル]アゾ]-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-1-イル]ベンゼンスルホン酸二ナトリウム 4-[[2,4-ジアミノ-5-[(3-ソジオスルホフェニル)アゾ]フェニル]アゾ]-2-[[2,6-ジヒドロキシ-3-[(4-ニトロフェニル)アゾ]フェニル]アゾ]ベンゼンスルホン酸ナトリウム 2,4-ジアミノ-5-[(2-ヒドロキシ-5-ニトロフェニル)アゾ]ベンゼンスルホン酸ナトリウム Reactive Yellow 179 Neutral Brilliant Yellow S-5GL 4-[[4-クロロ-6-(メチルフェニルアミノ)-1,3,5-トリアジン-2-イル]アミノ]-2-[[[1-(2-クロロフェニル)-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール]-4-イル]アゾ]ベンゼンスルホン酸ナトリウム

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1,3-フェニレンジアミン-4-スルホン酸

基本情報