기본 정보
- CAS
83-61-4- 표준 SMILES
O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O- InChIKey
JKYKXTRKURYNGW-UHFFFAOYSA-N- 분자식
- C14H8O7S
- 평균 분자량
- 320.28 g/mol
- 단동위원소 질량
- 319.99907376
개요
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is a dihydroxyanthraquinone that is 1,2-dihydroxyanthraquinone compound carrying an additional sulfo substituent at the 3-position. The monosodium salt is the biological stain 'alizarin red S'. It has a role as a histological dye. It is an organosulfonic acid and a dihydroxyanthraquinone. It is a conjugate acid of a 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate.
이름 및 식별자
- 우선 이름
- 1,2-Dihydroxyanthraquinone-3-sulfonic acid
- IUPAC
- 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
- 현지명
- 3,4-디히드록시-9,10-디옥소-9,10-디히드로안트라센-2-술폰산
- 영어명
- 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
- 분자식
- C14H8O7S
- 분자량
- 320.27
이름 및 동의어
83-61-43-Alizarinsulfonic acid1,2-Dihydroxy-3-sulfoanthraquinone3,4-Dihydroxy-2-anthraquinonesulfonic acid3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic acid9,10-Dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid9A6LXA99ML1,2-Dihydroxy-3-sulfonate-9,10-anthraquinone3,4-Dihydroxy-9,10-anthraquinone-2-sulfonic acidPIN-077alizarine sulfonateCHEBI:87358
이름 더 보기
3,4-디히드록시-9,10-디옥소-9,10-디히드로안트라센-2-술폰산NSC 566532-Anthraquinonesulfonic acid, 3,4-dihydroxy-1,2-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-3-sulfonic acid
RefChem:5539891,2-DIHYDROXYANTHRAQUINONE-3-SULFONIC ACIDAlizarin Red S3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acidAlizarin Red S free acid27613-78-1Az-RCHEBI:40863
데이터베이스 식별자
- CAS
83-61-4
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 593
실험 및 물리화학적 성질
Chemical ClassesDyes -> Anthraquinone Dyes
물리화학적 성질
- 밀도
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- 용해도
- 알칼리성 용액(약간), DMSO(약간, 가온), 메탄올(약간, 가온)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -1.33 · -1.33±0.20(Predicted)
- 색상
- 진한 주황색에서 진한 빨간색까지
- 안정성
- 흡습성
안전 및 규제
유해성 정보
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-
Hazards SummarySee Alizarin.
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
추가 설명
정의ChEBI: A dihydroxyanthraquinone that is 1,2-dihydroxyanthraquinone compound carrying an additional sulfo substituent at the 3-position. The monosodium salt is the biological stain 'alizarin red S'.
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