9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride

• ChemBase编号: 103515
• 分子式: C28H31ClN2O3
• 平均质量: 479.01034
• 单一同位素质量: 478.20232054
• SMILES: [Cl-].CCN(CC)c1cc2c(cc1)c(c1ccc(=[N+](CC)CC)cc1o2)c1c(cccc1)C(=O)O
• Canonical SMILES: CCN(c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC.[Cl-]
• InChI: InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H
• InChIKey: PYWVYCXTNDRMGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride
• IUPAC传统名: rhodamine B(1+) chloride
• 别名: 四乙基若丹明; 碱性紫 10; 罗丹明 B; 若丹明 O; 若丹明 B; 罗丹明 B 溶液; 罗丹明B; Rhodamine 610, C.I. Pigment Violet 1, Basic Violet 10, C.I. 45170; Rhodamine B; Rhodamine B solution; Basic Violet 10; Brilliant Pink B; Rhodamine O; Tetraethylrhodamine; RHODAMINE B; BRILLIANT RHODAMINE B; C.I. 45170

登记号

• CAS号: 81-88-9
• EC号: 200-661-7; 201-383-9
• MDL号: MFCD00011931
• Beilstein号: 4091619; 4119648
• 默克索引号: 148183
• PubChem SID: 24899386; 162090945; 24845316; 24855208; 24888129
• PubChem CID: 6694
• CHEBI ID: 52334
• CHEMBL: 428971
• Chemspider ID: 6439
• KEGG ID: C19517
• 维基百科标题: Rhodamine_B
• Color Index Number: 45170

理论计算性质

• Acid pKa: 3.4974906
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.3136566
• LogD (pH = 7.4): 2.341872
• Log P: 1.7813271
• 摩尔折射率: 157.9201 cm^3
• 极化性: 50.5897 Å^3
• 极化表面积: 52.78 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ~50 g/L in water
• 外观: red to violet powder
• 熔点: 210 - 211 °C (Decomposes); 210°C; 210-211 (dec.)(lit.); ca 210°C dec.
• 闪点: 12 °C; 53.6 °F
• 密度: 0.79 g/mL at 20 °C; 1.31
• 紫外吸收波长: λmax 543 nm
• 荧光: λex 553 nm; λem 627 nm in methanol

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BP3675000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1219
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-36-67; 22-40-41; 22-41; R:22
• 安全公开号: 26-36/37/39-60; 26-39; 7-16-24/25-26; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H319-H336; H302-H318; H318-H351-H302
• GHS警示性声明: P210-P261-P305 + P351 + P338; P280-P281-P305+P351+P338-P310-P405-P501A; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1219 3/PG 2

产品相关信息

• 纯度: ≥97.0% (HPLC); Dye Content ~80-90%
• 浓度: 0.2% in isopropanol
• 级别: adsorption indicator for microscopy (Bact., Bot., Fl., Hist., Vit.); analytical standard; for fluorescence; for TLC derivatization
• 主要成分: Dye content, 90%
• 适用性: in accordance for fluorescence
• 品质说明: for spectrophotometric det. of Cd
• Empirical Formula (Hill Notation): C28H31ClN2O3

详细说明

MP Biomedicals - 02152021

C.I. 45170
Dye content: ~ 80-90%
Water soluble powder

MP Biomedicals - 05214353

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 83689

Analysis Note
λmax. ～543 nm, E(1%/1cm) ～2200-2800 (Methanol)

Sigma Aldrich - 02558

Application
即用型色谱喷剂和浸剂

Sigma Aldrich - 252425

Application
Suitable as laser dye. Colorimetric reagent for Cd.
Features and Benefits
Powerful dye.
包装
1, 5 g in glass bottle

参考文献

• Biological stain.
• Reagent for determination of Cd and Zn: Anal. Chem., 176, 285 (1960); also for various other metals.