Anthrarufin

HCID 8328CAS 117-12-4
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기본 정보

표준 SMILES
O=C1c2cccc(O)c2C(=O)c2cccc(O)c21
InChIKey
JPICKYUTICNNNJ-UHFFFAOYSA-N
분자식
C14H8O4
평균 분자량
240.21 g/mol
단동위원소 질량
240.04225874

개요

Anthrarufin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It derives from a hydride of an anthracene.

이름 및 식별자

우선 이름
Anthrarufin
IUPAC
1,5-dihydroxyanthracene-9,10-dione
영어명
1,5-Dihydroxyanthraquinone
분자식
C14H8O4
분자량
240.21

이름 및 동의어

Anthrarufin1,5-DIHYDROXYANTHRAQUINONE117-12-41,5-dihydroxyanthracene-9,10-dione9,10-Anthracenedione, 1,5-dihydroxy-1,5-Dihydroxyanthrachinon1,5-Dihydroxy-9,10-anthraquinoneAnthraquinone, 1,5-dihydroxy-1,5-Dihydroxy-9,10-anthracenedioneCHEBI:37501KPB60W5S3MNSC-7211
이름 더 보기
C14H8O4NSC 7211NSC 646570Anthrarufin,80%Anthrarufin 85%Anthrarufin >1,5 DIHYDROXY AQRARECHEM AQ BD AN24
NSC-646570DTXSID8051594RefChem:1130751,5-DHAQDTXCID90818191204-175-6CCRIS 31501,5-Dihydroxy-anthraquinone

데이터베이스 식별자

CAS
117-12-4
PubChem CID
8328
DTXSID
DTXSID8051594
ChEMBL
CHEMBL55761
ChEBI
CHEBI:37501
UNII
KPB60W5S3M
EC Number
204-175-6
Nikkaji
J2.267.364E、J2.906H

물성

구조 계산 물성

XLogP
3.7
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
18

실험 및 물리화학적 성질

Chemical ClassesDyes -> Anthraquinone Dyes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionGreen to yellow solid; [Merck Index] Yellow powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
279 °C · 279 °C (dec.)(lit.)
끓는 점
342.92 °C · 342.92°C (rough estimate)
밀도
1.56 g/cm3 · 1.56 g/cm3
증기 밀도
8.3 · 8.3 (vs air)
굴절률
1.543 · 1.5430 (estimate)
저장 조건
-20 °C · -20°C Freezer

화학적 성질

Yellow to Green Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-dihydroxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA mild eye irritant; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Alizarin.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CB6630000
HS 번호
29146990
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

UsesUsed to make alizarin and indanthrene dyes; Forms insoluble barium and calcium lakes; [Merck Index]
General Manufacturing Information9,10-Anthracenedione, 1,5-dihydroxy-: ACTIVE

응용 분야

용도1,5-Dihydroxyanthraquinone is an anthraquinone derivative with suppressive effects against nitric oxide (NO) synthase. Potential antimalarial agent. Used in studies as a potential competitive non-peptidic inhibitor of HIV-1 protei nase.

상·하류 제품 정보

공급사50 곳

湖北鑫立恒化工有限公司13164644252
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

추가 설명

정의ChEBI: A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5.

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