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HCID 94656Erstellt: 25. Oktober 2026

7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chlor-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalin-1,3,6-trisulfonsure

C.I.Reactive Orange 12:C.I.13248 · 7-[4-[(4-Amino-6-chloro-1,3,5-triazine-2-yl)amino]-2-(aminocarbonylamino)phenylazo]naphthalene-1,3,6-trisulfonic acid · 7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-1,3,6-naphthalenetrisulfonic acid · 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid · 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-

https://huagongshe.com/de/chemical/94656

Molekülstruktur von 7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chlor-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalin-1,3,6-trisulfonsure

Identifikatoren & physikalische Daten

CAS No.35642-64-9
SummenformelC20H16ClN9O10S3
Durchschnittliche Molmasse674 g/mol
Monoisotopische Masse672,98707839 g/mol
SMILESNC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKeyGFPPLTJOYVDEIS-UHFFFAOYSA-N
PubChem CID94656
EC No.252-652-2
DTXSIDDTXSID70867869
Lokaler Name7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chlor-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalin-1,3,6-trisulfonsure

Chemische & physikalische Eigenschaften

XLogP0,3
Polarare Oberfläche (TPSA)345
H-Brücken-Donoren7
H-Brücken-Akzeptoren17
Frei drehbare Bindungen8
Schwere Atome43
Formalladung0
Komplexität1.370
Dichte2.07±0.1 g/cm3(Predicted)
Dampfdruck0Pa at 25℃
pKa (Säurekonstante)-1.10±0.40(Predicted)
Löslichkeit1000g/L at 25℃
LogP (Verteilungskoeffizient)-0.66 at 25℃

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.WarningH317 (16.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-REACH registered substance: 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (EC: 252-652-2)
Weitere SicherheitsinformationenIMAP assessments - 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (16.7%)

Herstellung & Synthese

synthetische

7-Aminonaphthalene-1,3,5-trisulfonic acid diazo, and N-(3-aminophenyl)acetamide coupling, and 2,4,6-Trichloro-1,3,5-triazine condensation, and then four and salting-out.