C.I. Reactive Blue 231

Dinafix Blue BGF · Reactive Blue 231 · Turquoise Blue BGF · C.I. Reactive Blue 231 · Reactive Turquoise KM-GB · Meactive Turquoise Blue BGF · Britactive Turquoise Blue FG · Triactive Turquoise Blue S-GF.

https://huagongshe.com/de/chemical/331252

Molekülstruktur von C.I. Reactive Blue 231

Identifikatoren & physikalische Daten

CAS No.	115682-09-2
Summenformel	C17H21N3O2
Durchschnittliche Molmasse	299,37 g/mol
Monoisotopische Masse	299,16337691 g/mol
SMILES	O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
InChIKey	VXKCGGYPMLXZKG-UHFFFAOYSA-N
PubChem CID	331252
ChEMBL	CHEMBL1606228
EC No.	601-376-4
DTXSID	DTXSID90317912

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	71,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	22
Formalladung	0
Komplexität	429
Löslichkeit	25.7 [ug/mL] (The mean of the results at pH 7.4)

Sicherheit & Vorschriften

Regulatorische Informationen	C.I. Reactive Blue 231: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Herstellung & Synthese

synthetische

Copper phthalocyanine use chlorosulfonic and chlorinated and sulfones chlorosulfonated, with four ammonia, with N-Acetylethylenediaminefirst condensation, hydrolysis,2-(4-Aminophenylsulfonyl)ethyl hydrogen sulfate and 2,4,6-Trichloro-1,3,5-triazine second condensation, and hydrolysis product third condensation, and then salting-out.