2,4-Diaminobenzenesulfonic acid (HCID 66623)

Namen und Bezeichner

Bevorzugter Name: 2,4-Diaminobenzenesulfonic acid
IUPAC: 2,4-diaminobenzenesulfonic acid
Lokaler Name: 2,4-Diaminobenzolsulfonsure
Englischer Name: 2,4-Diaminobenzenesulfonic acid
Summenformel: C6H8N2O3S
Molmasse: 188.2

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 115 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 246

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 260 · 260-266 °C (dec.)
Siedepunkt: 500 °C · 500°C (estimate)
Dichte: 1.366 · 1.366 (estimate)
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.649 · 1.6490 (estimate)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 2.99 · 2.99±0.10(Predicted)
Farbe: White to Pale Yellow
Wasserlöslichkeit: 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 Datenbank: 88 · 88-63-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzenesulfonic acid, 2,4-diamino- (88-63-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: 1759
hs_code: 29309090
RTECS-Nr.: DB5900000
risk_code: 36/38-43-36/37/38
hazard_code: Xi
safety_code: 26-36/39-37/39-36
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden2,4-Diaminobenzenesulfonic acid was used in preparation of series of sulfonated homo- and random co-polyimides.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

Reactive Brilliant Blue M-BR Mordant Brown 49 1-Amino-4-(2'-(4',6'-dichlor-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracen-2,4'-disulfonsaeure Reactive Dark Blue M-2ge Trinatrium-4-[[4-chlor-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichlor-4-sulfonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzolsulfonat Reactive Navy Blue Ker Dinatrium-2,5-dichlor-4-[4-[[5-[(4,6-dichlor-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzolsulfonat Dinatrium-4-[[2,4-diamino-5-[(3-sulfonatophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzolsulfonat Natrium-2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)benzolsulfonat Reactive Yellow 179 Neutral Brilliant Yellow S-5GL Natrium-4-[[4-chlor-6-(methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzolsulfonat

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Zugehörige Reaktionen

18

Reaktionsaufzeichnung erstellen

HRID 172411als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 292509als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 376751als Eduktuspto-grants-2000_02

HRID 962351als Eduktuspto-grants-1998_06

HRID 1146204als EduktTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1165284als Eduktuspto-grants-1990_03

HRID 1197210als Eduktuspto-grants-1992_05

HRID 1197212als Eduktuspto-grants-1992_05

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