sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-3H-2,1λ6-benzoxathiol-3-yl]-3-methylbenzen-1-olate

• ChemBase编号: 103637
• 分子式: C21H13Br4NaO5S
• 平均质量: 719.99569
• 单一同位素质量: 715.7114868
• SMILES: [Na+].Cc1c(cc(Br)c(O)c1Br)C1(OS(=O)(=O)c2c1cccc2)c1c(C)c(Br)c([O-])c(Br)c1
• Canonical SMILES: Brc1cc(c(c(c1[O-])Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O.[Na+]
• InChI: InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1
• InChIKey: HEFSGAHJDGZCHA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-3H-2,1λ^6-benzoxathiol-3-yl]-3-methylbenzen-1-olate; sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-3H-2,1$l^{6}-benzoxathiol-3-yl]-3-methylbenzen-1-olate
• IUPAC传统名: sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ^6-benzoxathiol-3-yl]-3-methylbenzenolate; potassium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylbenzenolate
• 别名: 溴甲酚绿 钠盐; 3′,3′′,5′,5′′-四溴-间甲酚磺酰酞 钠盐; 溴甲酚绿 钠盐 溶液; 3′,3″,5′,5″-Tetrabromo-m-cresolsulfonphthalein sodium salt; Bromocresol Green sodium salt; 3',3",5',5"-Tetrabromo-m-cresolsulfonphthalein sodium salt; BROMOCRESOL GREEN, ACS; 3′,3′′,5′,5′′-Tetrabromo-m-cresolsulfonephthalein sodium salt; Bromocresol Green sodium salt solution

登记号

• CAS号: 62625-32-5
• EC号: 263-657-4; 231-791-2
• MDL号: MFCD00148898
• PubChem SID: 24850355; 24891573; 162090925; 24859141; 24847167
• PubChem CID: 23675901

理论计算性质

• Acid pKa: 6.5694385
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 8.174579
• LogD (pH = 7.4): 6.9485455
• Log P: 8.210546
• 摩尔折射率: 145.2407 cm^3
• 极化性: 51.76419 Å^3
• 极化表面积: 86.66 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: crystalline
• 熔点: 230 °C (dec.)(lit.); 230°C (decomposes)
• 密度: 0.981 g/mL at 25 °C
• 紫外吸收波长: λmax 612 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 浓度: 0.04 wt. % in H2O
• 级别: ACS; ACS reagent; for microscopy (Bot., Hist., Vit.); indicator (pH 3.8-5.4); REAGENT
• 主要成分: Dye content, 90%
• 变色范围: 3.8 - 5.2, yellow to blue; 3.8 - 5.4, yellow to blue
• Empirical Formula (Hill Notation): C21H13Br4NaO5S

详细说明

MP Biomedicals - 02152503

ACS Reagent Grade
Sodium Salt

Sigma Aldrich - 17480

Application
Bromocresol green has been used to study the removeal of non-ionic organic pollutants from water via liquid-liquid extraction. Bromocresol green has also been used in a study to examine growth inhibition pattern and lactic acid production in Streptococcus mutans.

Sigma Aldrich - B1256

包装
25 g in glass bottle

Sigma Aldrich - 114367

包装
1, 5, 25 g in glass bottle
Application
Bromocresol Green (BCG) is a pH sensitive triphenylmethane dye useful in a variety of colorimetric detection technologies. BCG is used as a tracking dye for DNA agarose gel electrophoresis, in protein determinations and in charge-transfer complexation processes. In TLC BCG is used for visualisation of the compounds with functional groups whose pKa is below 5.0.

Sigma Aldrich - 318701

包装
500 mL in glass bottle