C.I. Disperse Blue 3

HCID 17191
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2475-46-9
Standard SMILES
CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O
InChIKey
NLXFWUZKOOWWFD-UHFFFAOYSA-N
Molecular formula
C17H16N2O3
Average molar mass
296.32 g/mol
Monoisotopic mass
296.11609237

Overview

Dye; structure in first source

Names & identifiers

Preferred name
C.I. Disperse Blue 3
IUPAC
1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
English name
1-[(2-hydroxyethyl)amino]-4-(methylamino)anthraquinone
Molecular formula
C17H16N2O3
Molecular weight
296.32

Names & synonyms

Disperse blue 32475-46-9C.I. Disperse Blue 3Disperse Blue KSetacyl Blue BNSetacyl Blue FGSetacyl Blue RF1-Ma-4oeaaAmacel Blue BNNArtisil Blue BSGArtisil Blue BSQCibacet Blue BNG
Show more names
9,10-Anthracenedione, 1-(2-hydroxyethyl)amino-4-(methylamino)-
Eastman Blue BNNEastman Blue GBNNacelan Blue KLTCelliton Blue FFRCelutate Blue BLTCelutate Blue RNHCibacet Blue F3RPerliton Blue FFR

Database identifiers

CAS
2475-46-9、86722-66-9
PubChem CID
17191
DTXSID
DTXSID301015819
UNII
8X7KL92596
EC Number
219-604-2、289-276-3
Nikkaji
J7.587F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
78.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Experimental & physicochemical properties

Chemical ClassesDyes -> Anthraquinone Dyes
CosmeticsHair dyeing
LogP1.94
Physical DescriptionGrey-black powder; [MSDSonline]

Physicochemical properties

Melting point
190 °C · 190 °C
Boiling point
593.5 · 593.5±50.0 °C(Predicted)
Density
1.397 · 1.397±0.06 g/cm3(Predicted)
pka
14.62 · 14.62±0.10(Predicted)
FDA UNII
8 X7KL92596 · 8X7KL92596
EPA Substance Registry System
9 · 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)- (86722-66-9)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.

Warning

H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 4 items

Chemical: 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)-

Chemical: C. I. Disperse Blue 3

C.I. Disperse Blue 3: Does not have an individual approval but may be used under an appropriate group standard

9,10-Anthracenedione, 1-(2-hydroxyethyl)amino-4-(methylamino)-: 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.

Other Safety Information · 2 items

IMAP assessments - Anthraquinone-based dyes with limited data availability: Human health tier II assessment

IMAP assessments - 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)-: Environment tier I assessment

Hazards Summary · 1 item

An irritant; Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] A mild eye irritant; May cause skin sensitization; [MSDSonline]

Hazard Classes and Categories · 2 items

Acute Tox. 4 (78.8%)

Skin Sens. 1 (100%)

Safety & protection

Disposal Methods · 1 item

NATURAL SODIUM- AND CALCIUM-VERMICULITE, A VERMICULITE PREPARED BY HEATING TO 550 DEG & TREATING BY 10% SULFURIC ACID, & A VERMICULITE TREATED WITH 1 N SODIUM CHLORIDE WERE USED TO ABSORB DISPERSE BLUE K PRESENT IN WASTEWATERS IN CONCN 5.6-26.9 MG/L.

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Non-Human Toxicity Excerpts · 1 item

TWENTY-THREE DYES BELONGING TO DIFFERENT CHEMICAL CLASSES: ANTHRAQUINONES, MONO- AND BIS-AZO COMPOUNDS, WERE TESTED FOR THEIR MUTAGENIC ACTIVITY ON AMES SALMONELLA TYPHIMURIUM STRAINS TA1535, TA100, TA1538 & TA98. CI DISPERSE BLUE 3 WAS FOUND TO BE NONMUTAGENIC.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Uses · 6 items

Used as dye for synthetic fibers (e.g., acetate, nylon, and acrylic), wool sheepskins, furs, and plastics; [HSDB]

Banned in UE for garment dyeing because potential skin sensitizer; [Ullmann]

Fur Dressing and Dyeing [Category: Industry]

DYE FOR SYNTHETIC FIBERS, EG, ACETATE, NYLON & ACRYLIC

DYE FOR WOOL SHEEPSKINS & FURS

COLORANT FOR PLASTICS

U.S. Exports · 2 items

(1979) No Data

(1981) No Data

U.S. Imports · 2 items

(1979) 5.91X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1981) 9.12X10+5 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2 items

(1979) 5.68X10+8 GRAMS

(1981) 4.28X10+8 GRAMS

Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of ManufacturingCONDENSATION OF METHYLAMINE AND ETHANOLAMINE WITH QUINIZARIN & LEUCO-QUINIZARIN FOLLOWED BY OXIDATION; CONDENSATION OF 1-BROMO-4-METHYLAMINOANTHRAQUINONE WITH ETHANOLAMINE IN PRESENCE OF COPPER ACETATE

Applications

UsesNonoxidative coloring agent for semipermanent coloring of keratin fibers such as hair and wool.

Suppliers59 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]

Related reactions

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Compound notes

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