1-아미노-4-하이드록시안트라퀴논

1-Amino-4-hydroxyanthraquinone

HCID 8323CAS 116-85-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
InChIKey: AQXYVFBSOOBBQV-UHFFFAOYSA-N
분자식: C14H9NO3
평균 분자량: 239.23 g/mol
단동위원소 질량: 239.05824315

이름 및 식별자

우선 이름: 1-Amino-4-hydroxyanthraquinone
IUPAC: 1-amino-4-hydroxyanthracene-9,10-dione
현지명: 1-아미노-4-하이드록시안트라퀴논
영어명: Celliton Fast Pink B
분자식: C14H9NO3
분자량: 239.23

이름 및 동의어

1-AMINO-4-HYDROXYANTHRAQUINONE116-85-8Disperse Red 15Calcosyn Pink BC.I. Disperse Red 15Celutate Pink BNCelutate Pink BNacelan Pink BAmacel Pink BCelutate Pink BYDisperse Red 2SSetacyl Pink 3B

이름 더 보기

1-아미노-4-하이드록시안트라퀴논분산적색15호param1a-4oaNSC1485NSC 1485NSC-1485SRArotVIIc.i.60710C.I. 60710

Artisil Red 3BPCibacet Red 3BPara MAcetate Fast Red 2BNeosetile Pink BNPerliton Pink 3BMicrosetile Pink BNCilla Fast Pink BN

데이터베이스 식별자

CAS: 116-85-8
PubChem CID: 8323
DTXSID: DTXSID1059440
ChEMBL: CHEMBL88326
UNII: 15FG1M8OP9
EC Number: 204-163-0
Nikkaji: J2.903C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 80.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 381

실험 및 물리화학적 성질

Chemical ClassesDyes -> Anthraquinone Dyes

CosmeticsHair dyeing

SpringerMaterials PropertiesBoiling point

LogP1.8

Physical DescriptionPowder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 207 · 207-209 °C
끓는 점: 381.88 °C · 381.88°C (rough estimate)
밀도: 1.2326 · 1.2326 (rough estimate)
굴절률: 1.47 · 1.4700 (estimate)
산도 계수 (pKa): 7.38 · 7.38±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 진한 보라색부터 진한 갈색까지
수용성: 물, 에탄올, 아세톤, 벤젠에 용해됩니다.
Henry's Law Constant: 3.8 · 3.8×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
화장품 원료 기능: 머리 염색
NIST: 1 · 1-Hydroxy-4-aminoanthraquinone(116-85-8)
EPA: 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy- (116-85-8)

화학적 성질

deep purple to dark brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4-hydroxy-

Other Safety InformationIMAP assessments - 9,10-Anthracenedione, 1-amino-4-hydroxy-: Environment tier I assessment

Hazards SummaryMay cause irreversible effects; Suspected to cause genetic defects; An irritant; [Alfa Aesar MSDS] See 1,4-Diaminoanthraquinone.

Hazard Classes and CategoriesMuta. 2 (100%)

안전 데이터

tsca: TSCA listed
rtecs: CB5600000
독성: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,
HS 번호: 29225000
risk_code: 68-65-40-33
hazard_code: Xn
safety_code: 36/37-24/25
기존화학 물질: KE-07430

화학 및 산업

용도 및 제조

Uses · 2건

Found as an impurity in Disperse Violet 1 (CAS# 128-95-0), which is used as a hair dye; [ExPub: EC]

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-: ACTIVE

응용 분야 · 1건

용도The use of the inclusion complex of 1-amino-4-hydroxyanthraquinone (AHA) in the internal cavity of β-cyclodextrin confers increased sensitivity, selectivity and detection limit, and allows the determination of 10-70 ng ml-1 beryllium, compared to 60-500 ng ml-1 in the absence of the cyclodextrin.