2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

HCID 3383CAS 518-45-6

基本情報

標準SMILES: O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChIKey: YKGGGCXBWXHKIZ-UHFFFAOYSA-N
分子式: C20H12O5
平均分子量: 332.3 g/mol
単同位体質量: 332.06847348

概要

Fluorescein (acid form) is a xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer. It has a role as a radioopaque medium and a fluorescent dye. It is a member of benzoic acids, an organic heterotricyclic compound, a member of phenols, a hydroxy monocarboxylic acid, a xanthene dye and a cyclic ketone.

名称と識別子

優先名称: 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
IUPAC: 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

名称と別名

2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid518-45-62-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acidflourescein1flr2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACIDMFCD00066735CHEMBL1777562-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid2-(6-hydroxy-3-oxoxanthen-9-yl)benzoic acid1n0s

名称をさらに表示

fluorescein (acid form)cid_3383CBDivE_002901SCHEMBL107875orb1308756SCHEMBL29591827SCHEMBL29781098CHEBI:172923

データベース識別子

CAS: 518-45-6
PubChem CID: 3383
DTXSID: DTXSID601031482
ChEMBL: CHEMBL177756
ChEBI: CHEBI:172923
EC Number: 108-123-2
Nikkaji: J1.849.662C、J79.263B、J837.015J

物性

構造計算による物性

XLogP: 2.4
極性表面積: 83.8 Å²
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: 25
形式電荷: 0
複雑度: 686

実験および物理化学的性質

SpringerMaterials PropertiesAngular frequency

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.