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HCID 83696Erstellt: 27. Oktober 2026

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

TIMTEC-BB SBB001179 · 6-Sulfanilamidoindazole · N1-(6-INDAZOLYL)SULFANILAMIDE · N'-(1H-Indazol-6-yl)sulfanilamide · N(sup 1)-(6-indazolyl)sulfanilamide · N-(indazol-6-yl)-4-aminobenzenesulphonamide · NY-(6-INDAZOLYL)SULFANILAMIDE M.P. 193-195OC · Benzenesulfonamide, 4-amino-N-1H-indazol-6-yl-

https://huagongshe.com/de/chemical/83696

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

Identifikatoren & physikalische Daten

CAS No.	13744-68-8
Summenformel	C13H12N4O2S
Durchschnittliche Molmasse	288,33 g/mol
Monoisotopische Masse	288,06809681 g/mol
SMILES	Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIKey	RLNLIVBLEZDLMZ-UHFFFAOYSA-N
PubChem CID	83696
EC No.	237-314-4
DTXSID	DTXSID50160183
Lokaler Name	N-(Indazol-6-yl)-4-aminobenzolsulfonamid

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	109
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	3
Schwere Atome	20
Formalladung	0
Komplexität	428
Schmelzpunkt	193-195 °C(lit.)
Siedepunkt	581.1±56.0 °C(Predicted)
Dichte	1.546±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	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 & Vorschriften

GHS-Einstufung	WarningH315 (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 exposureRespiratory 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
RTECS-Nr.	DA9510332
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

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

CAS No.

13744-68-8

Summenformel

C13H12N4O2S

Durchschnittliche Molmasse

288,33 g/mol

Monoisotopische Masse

288,06809681 g/mol

SMILES

Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1

InChIKey

RLNLIVBLEZDLMZ-UHFFFAOYSA-N

PubChem CID

83696

EC No.

237-314-4

DTXSID

DTXSID50160183

Lokaler Name

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

Chemische & physikalische Eigenschaften

XLogP

2,1

Polarare Oberfläche (TPSA)

109

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

428

Schmelzpunkt

193-195 °C(lit.)

Siedepunkt

581.1±56.0 °C(Predicted)

Dichte

1.546±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

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 & Vorschriften

GHS-Einstufung

WarningH315 (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 exposureRespiratory 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Wassergefährdungsklasse (WGK)

RTECS-Nr.

DA9510332

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3