基本情報
- CAS
152-75-0- 標準SMILES
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12- InChIKey
AZXGXVQWEUFULR-UHFFFAOYSA-N- 分子式
- C20H8Br4O5
- 平均分子量
- 647.9 g/mol
- 単同位体質量
- 643.71052
概要
2',4',5',7'-tetrabromofluorescein is a xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'. It is a monocarboxylic acid, an organobromine compound and a xanthene dye. It is a conjugate acid of a 2',4',5',7'-tetrabromofluorescein(2-).
名称と識別子
- 優先名称
- 2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
- IUPAC
- 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
名称と別名
152-75-02-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acidDTXSID8074651RefChem:1060737DTXCID1034923Red 212-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acidBenzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-CHEMBL376503548-26-52-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acidNSC2087
名称をさらに表示
2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoateCBChromo1_000099Probes1_000494Probes2_000049CBDivE_002995D+C Red N. 21SCHEMBL574248orb1985366
データベース識別子
- CAS
152-75-0、548-26-5- PubChem CID
- 11049
- DTXSID
DTXSID8074651- ChEMBL
CHEMBL376503- ChEBI
CHEBI:86277- EC Number
- 611-203-4
- Nikkaji
- J24.777D
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 83.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 848
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationC.I. Acid red 87: Does not have an individual approval but may be used under an appropriate group standard
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