3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione

• ChemBase编号: 102319
• 分子式: C19H10Br4O5S
• 平均质量: 669.9607
• 单一同位素质量: 665.69824242
• SMILES: Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(O)c(Br)c1
• Canonical SMILES: Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O
• InChI: InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
• InChIKey: UDSAIICHUKSCKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione; 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1λ^6-benzoxathiole-1,1-dione
• IUPAC传统名: bromphenol blue
• 别名: 溴酚蓝 溶液; 溴酚蓝, ACS; 3′,3′′,5′,5′′-四溴酚磺酰酞; 溴酚蓝磺酸内酯; 溴酚蓝; 3,3',5,5'-Tetrabromophenolsulfonphthalein; BROMOPHENOL BLUE SULFONE FORM; TETRABROMOPHENOL BLUE; Bromophenol Blue solution; Bromphenol Blue; Bromophenol Blue, ACS; Bromphenol Blue Sultone Form; 3',3",5',5"-Tetrabromophenolsulfonphthalein; BROMOPHENOL BLUE, ACS; Bromophenol Blue (BPB); Bromophenol Blue; Bromophenol blue; 3′,3′′,5′,5′′-Tetrabromophenolsulfonephthalein; 3′,3″,5′,5″-Tetrabromophenolsulfonphthalein

登记号

• CAS号: 115-39-9
• EC号: 200-679-5; 204-086-2
• MDL号: MFCD00005875
• Beilstein号: 61698
• 默克索引号: 141444
• PubChem SID: 162088184; 24859642; 24891504; 24850869; 24847169
• PubChem CID: 8272
• CHEBI ID: 59424
• Chemspider ID: 7973
• 维基百科标题: Bromophenol_blue

理论计算性质

• Acid pKa: 6.4071875
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 7.131941
• LogD (pH = 7.4): 5.671823
• Log P: 7.1837025
• 摩尔折射率: 124.608 cm^3
• 极化性: 48.59478 Å^3
• 极化表面积: 83.83 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

• 溶解度: Freely soluble in NaOH
• 外观: Crystalline; powder
• 熔点: 270°C dec.; 273 °C (523 °F); decomposes at 279 °C.; 273 °C(lit.); 273°C; 279 °C (decomp); ca 270°C dec.
• 沸点: 205.6±55 °C
• 闪点: 136.4 °F; 58 °C
• 密度: 0.954 g/mL at 20 °C; 2.2 g/mL
• 蒸汽压: Extremely low
• pH值: 3.0-4.6

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: SJ7453000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2265
• 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): 3
• 危险公开号: 61-20/21-36
• 安全公开号: 53-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H312 + H332-H319-H360D
• GHS警示性声明: P201-P280-P305 + P351 + P338-P308 + P313
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2265 3/PG 3

产品相关信息

• 浓度: ~1% in DMF
• 级别: ACS; ACS reagent; for microscopy (Hist.); indicator; indicator (pH 3.0-4.6); JIS special grade; Reag. Ph. Eur.; REAGENT
• 变色范围: 3.0 - 4.6, yellow to blue
• Empirical Formula (Hill Notation): C19H10Br4O5S

详细说明

MP Biomedicals - 02101123

Sulfone Form

MP Biomedicals - 02152505

ACS Reagent Grade
Free Acid

MP Biomedicals - 05218645

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 18030

Application
adsorption indicator

Sigma Aldrich - 18046

General description
请访问 滴定中心 了解更多信息。
Other Notes
测定溶液，用于从视觉上观察固相合成中肽偶联反应的进程：颜色从蓝色变为黄橙1

Sigma Aldrich - 32712

General description
请访问 滴定中心 了解更多信息。

Sigma Aldrich - B0126

包装
25 g in glass bottle

Sigma Aldrich - 114391

包装
5, 25 g in glass bottle
Application
Bromphenol Blue is used as a tracking dye in DNA, RNA (agarose) and protein (polyacrylamide) gel electrophoresis. Bromophenol blue migrates at approximately the same rate as 300-500bp DNA in agarose gel and at the buffer front in protein polyacrylamide gels.

Sigma Aldrich - 40-1006

Suitability
for titration