N-(Indazol-6-yl)-4-aminobenzolsulfonamid

4-Amino-N-1H-indazol-6-ylbenzenesulfonamide

HCID 83696CAS 13744-68-8

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Grundinformationen

Standard-SMILES: Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
Summenformel: C13H12N4O2S
Durchschnittliche Molmasse: 288,33 g/mol
Monoisotopische Masse: 288,06809681

Namen und Bezeichner

Bevorzugter Name: 4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
IUPAC: 4-amino-N-(1H-indazol-6-yl)benzenesulfonamide
Lokaler Name: N-(Indazol-6-yl)-4-aminobenzolsulfonamid
Englischer Name: 6-Sulfanilamidoindazole
Summenformel: C13H12N4O2S
Molmasse: 288.33

Namen und Synonyme

6-Sulfanilamidoindazole13744-68-8Benzenesulfonamide, 4-amino-N-1H-indazol-6-yl-4-Amino-N-1H-indazol-6-ylbenzenesulfonamideNSC-14072143XC2TRN2RDTXSID50160183RefChem:544323DTXCID8082674237-314-44-amino-n-(1h-indazol-6-yl)benzenesulfonamide6-(Sulfanilamido)indazole

Weitere Namen anzeigen

TIMTEC-BB SBB001179N1-(6-INDAZOLYL)SULFANILAMIDEN'-(1H-Indazol-6-yl)sulfanilamideN(sup 1)-(6-indazolyl)sulfanilamideNY-(6-INDAZOLYL)SULFANILAMIDE M.P. 193-195OCN1-(6-Indazolyl)sulfanilamide

Sulfanilamide, N1-1H-indazol-6-yl-6-(p-Aminobenzenesulfonylamino)indazole4-amino-N-(1H-indazol-6-yl)benzene-1-sulfonamide1H-indazol-6-yl[(4-aminophenyl)sulfonyl]amineEINECS 237-314-4NSC 140721N-(Indazol-6-yl)-4-aminobenzenesulphonamide4-amino-N-(1H-indazol-6-yl)-benzenesulfonamide

Datenbank-Bezeichner

CAS: 13744-68-8
PubChem CID: 83696
DTXSID: DTXSID50160183
UNII: 43XC2TRN2R
EC Number: 237-314-4
Nikkaji: J278.023B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 428

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195 °C(lit.)
Siedepunkt: 581.1 · 581.1±56.0 °C(Predicted)
Dichte: 1.546 · 1.546±0.06 g/cm3(Predicted)
pka: 8.77 · 8.77±0.30(Predicted)
InChI: 1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)S(=O)(=O)Nc2ccc3cn[nH]c3c2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.