2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논

9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-

HCID 66485CAS 81-59-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCC(=O)c2c1c(O)c1c(O)ccc(O)c1c2O
InChIKey: QJQPINQAQJTYMH-UHFFFAOYSA-N
분자식: C14H10O6
평균 분자량: 274.22 g/mol
단동위원소 질량: 274.04773803

이름 및 식별자

우선 이름: 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-
IUPAC: 5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione
현지명: 2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논
영어명: 2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone
분자식: C14H10O6
분자량: 274.23

이름 및 동의어

81-59-42,3-dihydro-1,4,5,8-tetrahydroxy-9,10-anthracenedione9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-EINECS 201-364-5NSC 23122DTXSID00588511,4,5,8-Tetrahydroxyanthraquinone, leucoderivative1,4,5,8-Tetrahydroxyanthraquinone, leuco derivative9,10-Athracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-RefChem:548710DTXCID90481985,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione

이름 더 보기

2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논Mitoxantrone Impurity 3Mitoxantrone Impurity 72,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone

1,4,5,8-TETRAHYDROXY-2,3-DIHYDROANTHRACENE-9,10-DIONE5,8-DihydroxyleucoquinizarinMFCD231600181,4,5,8-tetrahydroxy-2,3,9,10-tetrahydroanthracene-9,10-dione1,4,5,8-Tetrahydroxy-2,3-dihydro-9,10-anthracenedione; NSC 23122NSC23122Mitoxantrone Impurity N1Leucotetrahydroxyanthraquinone

데이터베이스 식별자

CAS: 81-59-4
PubChem CID: 66485
EC Number: 201-364-5
Nikkaji: J192.589J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 115 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 395

물리화학적 성질

끓는 점: 543.8 · 543.8±50.0 °C(Predicted)
밀도: 1.79 · 1.79±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: DMSO(아주 약간 용해됨, 가열됨)
산도 계수 (pKa): 4.2 · 4.20±1.00(Predicted)
물리적 상태: 고체
색상: 짙은 갈색에서 검정색까지
EPA: 9 · 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy- (81-59-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-: INACTIVE

응용 분야

용도5,8-Dihydroxyleucoquinizarin is a reactant used in the preparation of chloroethylaminoethylaminoanthraquinones with potent cytotoxicity against cisplatin-resistant tumor cells.