1-[[2,5-Dimethyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-naphthol

OIL RED · CI 26120 · Red GPD · abcolredob · CI NO 26120 · OIL RED EGN · SOLVENT RED 26 · C.I.Solvent Red 26

Identifikatoren & physikalische Daten

CAS No.	4477-79-6
Summenformel	C25H22N4O
Durchschnittliche Molmasse	394,5 g/mol
Monoisotopische Masse	394,17936132 g/mol
SMILES	Cc1ccccc1N=Nc1cc(C)c(N=Nc2c(O)ccc3ccccc23)cc1C
InChIKey	NRBKWAQSLYBVSG-UHFFFAOYSA-N
PubChem CID	62541
ChEMBL	CHEMBL1966947
EC No.	224-757-3
DTXSID	DTXSID5050395
Lokaler Name	1-[[2,5-Dimethyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-naphthol

XLogP	7,5
Polarare Oberfläche (TPSA)	69,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	4
Schwere Atome	30
Formalladung	0
Komplexität	608
Stoffklassen	Dyes -> Azo Dyes
Physical Description	Solid[Sigma-Aldrich MSDS]
Schmelzpunkt	130 °C (dec.)(lit.)
Siedepunkt	628.8±55.0 °C(Predicted)
Dichte	1.18±0.1 g/cm3(Predicted)
Lagerbedingungen	room temp
pKa (Säurekonstante)	13.52±0.50(Predicted)
Aggregatzustand	powder
Hauptanwendungen	diagnostic assay manufacturinghematologyhistology
InChI	1S/C25H22N4O/c1-16-8-4-7-11-21(16)26-27-22-14-18(3)23(15-17(22)2)28-29-25-20-10-6-5-9-19(20)12-13-24(25)30/h4-15,30H,1-3H3/b27-26+,29-28+
InChIKey	NRBKWAQSLYBVSG-ZDXBJJIESA-N
SMILES	Cc1ccccc1\N=N\c2cc(C)c(cc2C)\N=N\c3c(O)ccc4ccccc34
EPA chemische Informationen	C.I. Solvent Red 26 (4477-79-6)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 6.4% (5 of 78) of reports.WarningH315 (75.6%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 2-Naphthalenol, 1-[[2,5-dimethyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-Naphthalenol, 1-2,5-dimethyl-4-(2-methylphenyl)azophenylazo-: 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.
Weitere Sicherheitsinformationen	IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment
Gefahrenübersicht	May cause irritation[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (75.6%)Carcinogenicity - category 2
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Carc. 2

O-Methylaniline diazotization, and 2,5-Dimethylbenzenamine coupling, product to diazotization, and Naphthalen-2-ol coupling.