テトラヨードフルオレセイン

テトラヨードフルオレセイン · 2',4',5',7'-テトラヨード-3',6'-ビス(ヒドロキシ)スピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オン · 2',4',5',7'-テトラヨードフルオレセイン · 3,6-ジヒドロキシ-2,4,5,7-テトラヨードスピロ[9H-キサンテン-9,1'(3'H)-イソベンゾフラン]-3'-オン · テトラヨードフルオレッセイン · 2',4',5',7'-テトラヨード-3',6'-ジヒドロキシスピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オン · ヨーデオシン · 3',6'-ジヒドロキシ-2',4',5',7'-テトラヨードスピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オン

https://huagongshe.com/ja/chemical/3259

識別子と物理属性

CAS No.	15905-32-5
分子式	C20H8I4O5
平均分子量	835.9 g/mol
単同位体質量	835.65506536 g/mol
SMILES	O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I
InChIKey	OALHHIHQOFIMEF-UHFFFAOYSA-N
PubChem CID	3259
ChEMBL	CHEMBL1332616
EC No.	240-046-0
DTXSID	DTXSID7044843
現地名	テトラヨードフルオレセイン

化学・物理的性質

XLogP	6
極性表面積	76
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	0
重原子数	29
形式電荷	0
複雑度	645
化粧品	Hair dyeingCosmetic colorant
溶解度	0.7 mg/mL精神: 溶ける水、蒸留酒、メタノール、メチルセロソルブ、エタノールに溶ける。
融点	303 °C303 °C (dec.)(lit.)
Physical Description	LiquidOther SolidRed powder or granules.
Collision Cross Section	217.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7021233]
沸点	628.3±55.0 °C(Predicted)
密度	2.4391 (estimate)
貯蔵条件	room temp
外観・状態	粉
pKa（酸解離定数）	7.21±0.20(Predicted)
色	赤
主な用途	診断アッセイの製造血液学組織学
InChI	1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChIKey	OALHHIHQOFIMEF-UHFFFAOYSA-N
SMILES	Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I
EPAの化学物質情報	2',4',5',7'-Tetraiodofluorescein (15905-32-5)

化学的特性

orange-red fine powder

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 94.9% (37 of 39) of all reports.Not ClassifiedAggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
規制情報	Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium saltRegulation (EC) No 1333/2008 (amended)Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Erythrosine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
水環境危害等級（WGK）	2
TSCA 収載状態	TSCA listed
RTECS 番号	LM5940000
毒性	A food color formerly approved for use in the United States and Europe. It was used primarily in jams and marmalades, maraschino cherries, pickles and relishes, etc. The LD50 in rats is 150 mg/kg, i.p., and 600 mg/kg, p.o. Erythrosine has a variety of actions in vitro due in large measure to its ability to affect biological membranes and lipophilic sites of enzymes. Such data have led to the hypothesis that erythrosine could be neurotoxic, but both clinical and preclinical data have suggested that erythrosine is not likely to be neurotoxic at doses that might be encountered. Two other toxicological issues have been raised with this food color. It has been suggested to be a potential, if weak, carcinogen, and it may also contribute to potential thyroid toxicity resulting from release of iodine.
税関コード	29329990
安衛法	57,57-2

用途

染料。第四級アンモニウム塩の抽出吸光光度定量。

使用

Erythrosin B is used as a red coloring in some foods such as cherries and fish. It is used as printing ink, dental plaque disclosing agent and biological stain. It finds application as a radiopaque medium and sensitizer for orthochromatic photographic films. It is utilized as a cake-decorating gel. In addition to this, it is used in sweets such as candies and popsicles.

製法・合成法

製造方法

Fluorescein (C.I.Acid Yellow 73, C.L 45350) in aqueous solution or Tetraiodide in ethanol, and made the free acid form.