2-((4-(Ethyl(2-hydroxyethyl)-amino)phenyl)azo)-6-methoxy-3-methylbenzothiazoliummethylsulfat

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Identifikatoren & physikalische Daten

CAS No.	12270-13-2
Summenformel	C19H23N4O2S.CH3O4S
Durchschnittliche Molmasse	482,6 g/mol
Monoisotopische Masse	482,12937655 g/mol
SMILES	CCN(CCO)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1.COS(=O)(=O)[O-]
InChIKey	MHOFGBJTSNWTDT-UHFFFAOYSA-M
PubChem CID	83008
ChEMBL	CHEMBL259143
EC No.	235-546-0
DTXSID	DTXSID3051624
Lokaler Name	2-((4-(Ethyl(2-hydroxyethyl)-amino)phenyl)azo)-6-methoxy-3-methylbenzothiazoliummethylsulfat

Polarare Oberfläche (TPSA)	164
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	7
Schwere Atome	32
Formalladung	0
Komplexität	550
Kosmetika	Hair dyeing
Dichte	1.35[at 20℃]
Dampfdruck	0Pa at 20℃
Löslichkeit	46g/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen	HAIR DYEING
InChIKey	MHOFGBJTSNWTDT-UHFFFAOYSA-M
SMILES	S([O-])(=O)(=O)OC.C[N+]1=C(SC2C=C(OC)C=CC1=2)/N=N/C1C=CC(N(CC)CCO)=CC=1
LogP (Verteilungskoeffizient)	-1.6 at 20℃
CAS Datenbank	12270-13-2
EPA chemische Informationen	C.I. Basic Blue 41 (12270-13-2)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 1.9% (4 of 208) of reports.DangerH302 (65.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 208 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)REACH registered substance: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate (EC: 235-546-0)Benzothiazolium, 2-4-ethyl(2-hydroxyethyl)aminophenylazo-6-methoxy-3-methyl-, methyl sulfate (salt): 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.
Hazard Classes and Categories	Acute Tox. 4 (65.4%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39

N1,N3-dip-tolylbenzene-1,3-diamine and N-phenyl-2-naphthylamine reaction, its product and the N1,N1-diethylbenzene-1,4-diamine condensation.