エオシン 5-イソチオシアナート

Eosin 5-isothiocyanate

HCID 173745CAS 60520-47-0

基本情報

標準SMILES: O=C1OC2(c3ccc(N=C=S)cc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br
InChIKey: XHXYXYGSUXANME-UHFFFAOYSA-N
分子式: C21H7Br4NO5S
平均分子量: 705 g/mol
単同位体質量: 700.67784172

概要

Eosin 5-isothiocyanate is the 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm. It is an organobromine compound and an isothiocyanate. It is functionally related to a fluorescein (lactone form).

名称と識別子

優先名称: Eosin 5-isothiocyanate
IUPAC: 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
現地名: エオシン 5-イソチオシアナート
英語名: Eosin 5-isothiocyanate
分子式: C21H7Br4NO5S
分子量: 704.97

名称と別名

Eosin 5-isothiocyanate60520-47-0Eosin isothiocyanateEosine-5-isothiocyanateCHEBI:60597RefChem:590894637-417-8Eosin5-isothiocyanate2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one2',4',5',7'-tetrabromo-3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneEpitope ID:138722orb2566312

名称をさらに表示

エオシン 5-イソチオシアナート2',4',5',7'-テトラブロモ-5-イソチオシアナト-3',6'-ビス(ソジオオキシ)-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3-オン2′,4′,5′,7′-テトラブロモ-3′,6′-ビス(ソジオオキシ)-3-オキソスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-5-イルイソチオシアナートエオシン5-イソチオシアナート5-イソチオシアナト-2′,4′,5′,7′-テトラブロモ-3′,6′-ビス(ソジオオキシ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オンEITCEosin 5-isothiocyanate–Celite?Eosin 5-isothiocyanate-Celite(R)EOSIN 5-ISOTHIOCYANATE >= 95.0% (UV)EOSIN 5-ISOTHIOCYANATE FOR FLUOR- &EOSIN-5-ISOTHIOCYANATE, FOR FLUOR-ESCENC EEosin-5-isothiocyanate [2',4',5',7'-TetrabroMofluorescein-5-isothiocyanate]Spiroisobenzofuran-1(3H),9-9Hxanthen-3-one, 2,4,5,7-tetrabromo-3,6-dihydroxy-5-isothiocyanato-

SCHEMBL1714773SCHEMBL29393431DTXSID70975933XHXYXYGSUXANME-UHFFFAOYSA-NHY-D0805LS-14834CS-0012228H37318

データベース識別子

CAS: 60520-47-0
PubChem CID: 173745
DTXSID: DTXSID70975933
ChEBI: CHEBI:60597
EC Number: 637-417-8

物性

構造計算による物性

XLogP: 7.6
極性表面積: 120 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 32
形式電荷: 0
複雑度: 796

物理化学的性質

沸点: 719.1 · 719.1±60.0 °C(Predicted)
比重(密度): 2.33 · 2.33±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 6.93 · 6.93±0.20(Predicted)
外見: Solid
色: Red to Dark Red
安定性: Light sensitive
InChI: 1S/C21H7Br4NO5S/c22-12-4-10-14(8-2-1-7(26-6-32)3-9(8)21(29)30)11-5-13(23)18(28)16(25)20(11)31-19(10)15(24)17(12)27/h1-5,27H,(H,29,30)
InChIKey: MCXYFYWNOWPDMA-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(ccc1C2=C3C=C(Br)C(=O)C(Br)=C3Oc4c(Br)c(O)c(Br)cc24)N=C=S

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-5-isothiocyanato-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Sens. 1 (100%)

安全データ

F: 8-9
wgk: 3
risk_code: 42
hazard_code: Xn
safety_code: 22-24/25
Hazard Classifications: Resp. Sens. 1Skin Sens. 1
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野

使用Eosin 5-isothiocyanate (EITC) is a fluorescence probe. EITC tagged molecules may be used together with fluorescein-5′-isothiocyanate (FITC) tagged molecules in fluoresce resonance energy transfer (FRET) based assays.

サプライヤー23 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京阿克曼科技有限公司18001219251

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

補足説明

定義ChEBI: The 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm.