基本情報
- CAS
15086-94-9- 標準SMILES
O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br- InChIKey
DBZJJPROPLPMSN-UHFFFAOYSA-N- 分子式
- C20H8Br4O5
- 平均分子量
- 647.9 g/mol
- 単同位体質量
- 643.71052176
概要
Bromoeosin is an organobromine compound. It is functionally related to a fluorescein (lactone form).
名称と識別子
- 優先名称
- 2',4',5',7'-Tetrabromofluorescein
- IUPAC
- 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
- 現地名
- テトラブロモフルオレセイン
- 英語名
- Solvent Red 43
- 分子式
- C20H8Br4O5
- 分子量
- 647.89
名称と別名
15086-94-92',4',5',7'-TetrabromofluoresceinC.I. Solvent Red 43DTXSID3044590C.I. 45380:23,6-Dihydroxy-2,4,5,7-tetrabromospiro(xanthene-9,3'-phthalide)CI 45380:2NSC-2444362',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-DTXCID10245902',4',5',7'-tetrabromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
名称をさらに表示
テトラブロモフルオレセイン２，４，５，７テトラブロモ３，６フルオランジオル赤２２３エオシン, 不溶性2',4',5',7'-テトラブロモ-3',6'-ジヒドロキシ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3-オンテトラブロモフルオレッセイン3,6-ジヒドロキシ-2,4,5,7-テトラブロモスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン2′,4′,5′,7′-テトラブロモ-3-オキソスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3′,6′-ジオール2′,4′,5′,7′-テトラブロモ-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2′,4′,5′,7′-テトラブロモフルオレセイン2,4,5,7-テトラブロモ-3,6-フルオランジオール2,4,5,7-テトラブロモ-3,6-ジヒドロキシスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 76 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
- 0
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 645
実験および物理化学的性質
Cosmetics
Cosmetics ingredient -> Colorant
Hair dyeing
Food AdditivesDrugs, Cosmetics -> FDA Regulatory Status of Color Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section204.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044590]
物理化学的性質
- 融点
- 300 °C · 300 °C
- 沸点
- 640.3 · 640.3±55.0 °C(Predicted)
- 比重(密度)
- 1.02 g/mL · 1.02 g/mL at 20 °C
- 屈折率
- 1.5 · 1.5000 (estimate)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 O: · H2O: 0.1 g/mL、暗赤色
- 外見
- 液体
- 酸解離定数(Pka)
- 6.97 · 6.97±0.20(Predicted)
- 色
- White to Light yellow to Red
- Henry's Law Constant
- 4.4 · 4.4×1012 mol/(m3Pa) at 25℃, Zhang et al. (2010)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 74.5% (123 of 165) of all reports.
Warning
H302 (24.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 15-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5975
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (24.2%)
毒性情報
Carcinogen Classification
Eosin
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 15: (1977) Some Fumigants, the Herbicides 2,4-D and 2,4,5-T, Chlorinated Dibenzodioxins and Miscellaneous Industrial Chemicals
1987
1987
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LM5850000
- ridadr
- UN 1170 3/PG 2
- hs_code
- 32041919
- risk_code
- 36
化学と産業
用途と製造
Household Products
Cosmetics product ingredient: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-(and related compounds) (Red 21; Solvent red 43; Aka223)
Information on 4 consumer products that contain D & C Red no. 21 in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-: ACTIVE
応用分野
用途染料、染色液原料、化粧品着色剤。
使用Eosin Acid C.I. No. 45380 (CAS# 15086-94-9) is a photo-senseitive organic catalyst and has been used in the photocatalytic, diastereoselective additions of 1-sulfoximidoyl-1,2-benziodoxoles to styrenes, and in the stereoselective synthesis of 2-deoxyglycosides from glycals. Dyes and metabolites.
調製方法
製造方法Fluorescein (C.I. Acid Yellow 73, C.I. 45350) in water or ethanol solution bromide into four bromine derivatives, And made into a free acid form..
上流・下流製品情報
上流原料
下流製品
関連反応
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化合物ノート
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