1-(2-ヒドロキシエチルアミノ)-4-(メチルアミノ)アントラキノン

C.I. Disperse Blue 3

HCID 17191CAS 2475-46-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O
InChIKey: NLXFWUZKOOWWFD-UHFFFAOYSA-N
分子式: C17H16N2O3
平均分子量: 296.32 g/mol
単同位体質量: 296.11609237

概要

Dye; structure in first source

名称と識別子

優先名称: C.I. Disperse Blue 3
IUPAC: 1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
現地名: 1-(2-ヒドロキシエチルアミノ)-4-(メチルアミノ)アントラキノン
英語名: 1-[(2-hydroxyethyl)amino]-4-(methylamino)anthraquinone
分子式: C17H16N2O3
分子量: 296.32

名称と別名

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

名称をさらに表示

1-(2-ヒドロキシエチルアミノ)-4-(メチルアミノ)アントラキノン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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 78.4 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 440

実験および物理化学的性質

Chemical ClassesDyes -> Anthraquinone Dyes

CosmeticsHair dyeing

LogP1.94

Physical DescriptionGrey-black powder; [MSDSonline]

物理化学的性質

融点: 190 °C · 190 °C
沸点: 593.5 · 593.5±50.0 °C(Predicted)
比重(密度): 1.397 · 1.397±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.62 · 14.62±0.10(Predicted)
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)- (86722-66-9)

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 4 件

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 件

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 件

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 件

Acute Tox. 4 (78.8%)

Skin Sens. 1 (100%)

安全と保護具

Disposal Methods · 1 件

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.

毒性情報

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 件

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.

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Uses · 6 件

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 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

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

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

U.S. Production · 2 件

(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

応用分野

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

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表されるアントラキノン系頭髪用染料である。