기본 정보
- CAS
297-83-6- 표준 SMILES
O=C1OC(c2ccc(O)c(S(=O)(=O)O)c2)(c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c21- InChIKey
OHTXTCNTQJFRIG-UHFFFAOYSA-N- 분자식
- C20H10Br4O10S2
- 평균 분자량
- 794 g/mol
- 단동위원소 질량
- 789.64489
개요
Bromosulfophthalein is an organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1. It has a role as a dye. It is an organosulfonic acid, a member of phenols, an organobromine compound and a member of 2-benzofurans. It is functionally related to a 2-benzofuran-1(3H)-one. It is a conjugate acid of a bromosulfophthalein(2-).
이름 및 식별자
- 우선 이름
- 3,3'-(Tetrabromophthalidylidene)bis(6-hydroxybenzenesulfonic acid)
- IUPAC
- 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid
이름 및 동의어
Sulfobromophthalein297-83-6Sulphobromophthalein4,5,6,7-tetrabromo-3',3''-disulfophenolphthaleinSulfobromophtaleinSulfobromphthaleinSulfobromophthalein free acid0C2P5QKL36DTXSID4075378CHEBI:63836Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-DTXCID503621
이름 더 보기
3,3'-(Tetrabromophthalidylidene)bis(6-hydroxybenzenesulfonic acid)3,3'-(Tetrabromophthalidylidene)bis[6-hydroxybenzenesulfonic acid]RefChem:889572DTXCID00380492-hydroxy-5-(4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzene-1-sulfonic acid206-047-5Benzenesulfonic Acid, 3,3'-(4,5,6,7-Tetrabromo-3-Oxo-1(3H)-Isobenzofuranylidene)Bis(6-Hydroxy)-Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-), disodium salt
데이터베이스 식별자
- CAS
297-83-6- PubChem CID
- 5345
- DTXSID
DTXSID4075378- ChEMBL
CHEMBL574431- ChEBI
CHEBI:63836- UNII
- 0C2P5QKL36
- EC Number
- 206-047-5
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,020
실험 및 물리화학적 성질
LogP-0.55
Endocrine DisruptorsPotential endocrine disrupting compound
화학 및 산업
약리 정보
ATC Code
V - Various
QV - Various
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
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