4-methylaniline; [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid

• ChemBase编号: 102152
• 分子式: C15H15BrClN2O4P
• 平均质量: 433.621361
• 单一同位素质量: 431.96413328
• SMILES: Cc1ccc(N)cc1.OP(=O)(O)Oc1c[nH]c2c1c(Cl)c(Br)cc2
• Canonical SMILES: Brc1ccc2c(c1Cl)c(c[nH]2)OP(=O)(O)O.Cc1ccc(cc1)N
• InChI: InChI=1S/C8H6BrClNO4P.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3
• InChIKey: QEIFSLUFHRCVQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methylaniline; [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid
• IUPAC传统名: (5-bromo-4-chloro-1H-indol-3-yl)oxyphosphonic acid; P-toluidine
• 别名: BCIP® 对甲苯胺盐; 5-溴-4-氯-3-吲哚磷酸 对甲苯胺盐; X-phosphate p-toluidine salt; 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt; BCIP; X-phosphate; 5-BROMO-4-CHLORO-3-INDOLYLPHOSPHATE p-TOLUIDINE SALT; 5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE p-TOLUIDINE SALT; BCIP® p-toluidine salt

登记号

• CAS号: 6578-06-9
• EC号: 229-506-1
• MDL号: MFCD00040636
• PubChem SID: 24850179; 24891510; 162088047; 24891823; 24892074
• PubChem CID: 81059

理论计算性质

• Acid pKa: 1.726015
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 0.10124553
• LogD (pH = 7.4): -0.6621499
• Log P: 2.4873745
• 摩尔折射率: 62.4259 cm^3
• 极化性: 25.400608 Å^3
• 极化表面积: 82.55 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF: soluble20 mg/mL; H2O: insoluble
• 外观: powder; tablet
• 熔点: 204-207°C

安全信息

• 保存条件: -20°C, Store Under Nitrogen, Protect from light
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥98%; ≥95.0% (HPLC); ≥99%; ≥99% (HPLC)
• 级别: for molecular biology
• Foreign Activity: Protease, none detected
• Empirical Formula (Hill Notation): C8H6BrClNO4P · C7H9N

详细说明

MP Biomedicals - 02193991

Molecular Biology Reagent
p-Toluidine Salt
Purity: >98%
A chromogenic substrate for alkaline phosphatase in ELISA.

MP Biomedicals - 02100368

p-Toluidine Salt
A histochemical substrate for alkaline phosphatase

Sigma Aldrich - B6777

Substrates
Histochemical substrate for alkaline phosphatase.
Application
For the colorimetric detection of alkaline phosphatase-labeled molecules, 5-Bromo-4-chloro-3-indolyl phosphate (BCIP) and Nitro Blue Tetrazolium (NBT) are available. The BCIP/NBT substrate system is versatile and functions in a variety of applications, including Northern Southern, and Western blotting, in situ hybridization, and immunohistochemistry. BCIP is provided in two salt forms: the disodium salt which is soluble in water and the p-toluidine form which is soluble in dimethylformamide. These salt forms may be used to prepare a stock solution that in combination with NBT and a reaction buffer, form a substrate solution for alkaline phosphatase. This substrate system, when incubated with alkaline phosphatase, produces an insoluble NBT diformazan product that is easily observable with its purple color. For added convenience, a mixture of BCIP and NBT is provided in an easily dissolvable tablet form or as a ready-to-use liquid.
法律信息
BCIP 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 16670

Substrates
Histochemical substrate for alkaline phosphatase.
Application
For the colorimetric detection of alkaline phosphatase-labeled molecules, 5-Bromo-4-chloro-3-indolyl phosphate (BCIP) and Nitro Blue Tetrazolium (NBT) are available. The BCIP/NBT substrate system is versatile and functions in a variety of applications, including Northern Southern, and Western blotting, in situ hybridization, and immunohistochemistry. BCIP is provided in two salt forms: the disodium salt which is soluble in water and the p-toluidine form which is soluble in dimethylformamide. These salt forms may be used to prepare a stock solution that in combination with NBT and a reaction buffer, form a substrate solution for alkaline phosphatase. This substrate system, when incubated with alkaline phosphatase, produces an insoluble NBT diformazan product that is easily observable with its purple color. For added convenience, a mixture of BCIP and NBT is provided in an easily dissolvable tablet form or as a ready-to-use liquid.
法律信息
BCIP 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - B0274

Quantity
Contains 25 mg substrate per tablet.
Specificity
Substrate of choice for use with alkaline phosphatase in immunoblotting and, less commonly, in immunohistological staining procedures. High assay sensitivity is achieved via amplification when BCIP is used in conjunction with Nitro Blue Tetrazolium (NBT) Tablets (Catalog No. N5514). This substrate produces an insoluble end product that is blue-purple in color and can be observed visually.
Substrates
Histochemical substrate for alkaline phosphatase.
Application
For the colorimetric detection of alkaline phosphatase-labeled molecules, 5-Bromo-4-chloro-3-indolyl phosphate (BCIP) and Nitro Blue Tetrazolium (NBT) are available. The BCIP/NBT substrate system is versatile and functions in a variety of applications, including Northern Southern, and Western blotting, in situ hybridization, and immunohistochemistry. BCIP is provided in two salt forms: the disodium salt which is soluble in water and the p-toluidine form which is soluble in dimethylformamide. These salt forms may be used to prepare a stock solution that in combination with NBT and a reaction buffer, form a substrate solution for alkaline phosphatase. This substrate system, when incubated with alkaline phosphatase, produces an insoluble NBT diformazan product that is easily observable with its purple color. For added convenience, a mixture of BCIP and NBT is provided in an easily dissolvable tablet form or as a ready-to-use liquid.
法律信息
BCIP 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - B8503

Substrates
Histochemical substrate for alkaline phosphatase.
Application
For the colorimetric detection of alkaline phosphatase-labeled molecules, 5-Bromo-4-chloro-3-indolyl phosphate (BCIP) and Nitro Blue Tetrazolium (NBT) are available. The BCIP/NBT substrate system is versatile and functions in a variety of applications, including Northern Southern, and Western blotting, in situ hybridization, and immunohistochemistry. BCIP is provided in two salt forms: the disodium salt which is soluble in water and the p-toluidine form which is soluble in dimethylformamide. These salt forms may be used to prepare a stock solution that in combination with NBT and a reaction buffer, form a substrate solution for alkaline phosphatase. This substrate system, when incubated with alkaline phosphatase, produces an insoluble NBT diformazan product that is easily observable with its purple color. For added convenience, a mixture of BCIP and NBT is provided in an easily dissolvable tablet form or as a ready-to-use liquid.
法律信息
BCIP 注册商标 Sigma-Aldrich Co. LLC

参考文献

• Horwitz, J.P., et al., J. Med. Chem., 9 , 447 (1966).