CAS 4196-99-0|Acid Red 66|Ponceau BS|dipotassium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate|disodium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]...

基本信息

化学结构

分子式

C₂₂H₁₄N₄Na₂O₇S₂

分子量

556.4787

精确质量

556.00992937

电荷

InChI

InChI=1S/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2

InChIKey

VVAVKBBTPWYADW-UHFFFAOYSA-L

Canonic Smiles

Oc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-])cccc2.[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].Oc1ccc2ccccc2c1/N=N/c1c(cc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]

计算属性

JChem

LogD (pH = 7.4)

1.08

LogD (pH = 5.5)

1.08

Log P

1.63

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

-5.01

极化表面积

184.07

极化性

49.74

摩尔折射率

132.13

LOG S

-5.85

数据来源

名称和标识

别名

Acid Red 66Ponceau BSBIEBRICH SCARLETC.I. 26905BIEBRICH SCARLET, WATER SOLUBLEBRILLIANT PONCEAU SPonceau BSBiebrich scarlet WSBiebrich scarlet sodium saltacid red 66Wool Scarlet 5RAmacid Chrome Red 3BImperial Scarlet 3BNCalcochrome Red 650Acid Scarlet BABiebrich scarletC.I. 26905Wool Scarlet BRC.I. Acid Red 66Imperial Scarlet 3BFast Scarlet BAponceau Bponceau BSC.I. Acid Red 66, disodium saltNaphthazine Scarlet BIScarlet 3BCroceine scarletScarlet Red Sulfonate NFFenazo Scarlet BSodium 6-(2-hydroxynaphthylazo)-3,4'-azodibenzenesulphonate

IUPAC传统名

dipotassium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate disodium 2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate disodium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzenesulfonate

IUPAC标准名

disodium 2-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[2-(4-sulfonatophenyl)diazen-1-yl]benzene-1-sulfonate disodium 2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzene-1-sulfonate

名称和标识

数据登录号

EC号

CAS号

MDL号

Beilstein号

Color Index Number

PubChem SID

24891888162092758252162793

PubChem CID

535996820170

BRENDA数据库

1.7.1.171.7.1.61.5.1.30

CompTox数据库

BKMS React数据库

Reaxys Registry

CHEBI ID

BRENDA Ligand数据库

维基百科标题

数据登录号

化合物性质

理化性质

闪点

>93.3°C

溶解度

ethanol: soluble1 mg/mL

H2O: >30 mg/mL

紫外吸收波长

λmax 505 nm

化合物性质

分子相关蛋白质

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分子相关蛋白质

分子图谱

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描述信息

MP Biomedicals

02154855

(C.I. 26905; Acid Red 66) Water soluble Dye content: ~ 60%

05205367

MP Biomedicals Rare Chemical collection

Sigma Aldrich

B6008

包装
25, 100 g in glass bottle

ChEBI

CHEBI:87186

An organic sodium salt having 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used as a plasma stain in Masson's trichrome.

描述信息

参考文献

PubChem文献

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参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC传统名

IUPAC标准名

描述信息

MP Biomedicals

02154855

(C.I. 26905; Acid Red 66) Water soluble Dye content: ~ 60%

05205367

MP Biomedicals Rare Chemical collection

Sigma Aldrich

B6008

包装
25, 100 g in glass bottle

ChEBI

CHEBI:87186

An organic sodium salt having 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used as a plasma stain in Masson's trichrome.

参考文献

PubChem文献

暂无数据

点击上传数据

生物活性

PubChem BioAssay

化合物性质