기본 정보
- 표준 SMILES
CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O- InChIKey
NLXFWUZKOOWWFD-UHFFFAOYSA-N- 분자식
- C17H16N2O3
- 평균 분자량
- 296.32 g/mol
- 단동위원소 질량
- 296.11609237
개요
Dye; structure in first source
이름 및 식별자
- 우선 이름
- C.I. Disperse Blue 3
- IUPAC
- 1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
- 현지명
- 1-[(2-히드록시에틸)아미노]-4-(메틸아미노)안트라퀴논
- 영어명
- 1-[(2-hydroxyethyl)amino]-4-(methylamino)anthraquinone
- 분자식
- C17H16N2O3
- 분자량
- 296.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 440
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 190 °C · 190 °C
- 끓는 점
- 593.5 · 593.5±50.0 °C(Predicted)
- 밀도
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.62 · 14.62±0.10(Predicted)
- EPA
- 9 · 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)- (86722-66-9)
안전 및 규제
GHS 분류
GHS Classification
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
유해성 정보
Regulatory Information
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
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
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
Acute Tox. 4 (78.8%)
Skin Sens. 1 (100%)
안전 및 보호
Disposal Methods
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.
독성 정보
Non-Human Toxicity Excerpts
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.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Uses
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
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 5.91X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 9.12X10+5 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1979) 5.68X10+8 GRAMS
(1981) 4.28X10+8 GRAMS
General Manufacturing Information
C.I. Disperse Blue 3: ACTIVE
9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)-: INACTIVE
응용 분야
용도Nonoxidative coloring agent for semipermanent coloring of keratin fibers such as hair and wool.
공급사50 곳
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