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

• ChemBase ID: 102152
• Molecular Formular: C15H15BrClN2O4P
• Molecular Mass: 433.621361
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylaniline; [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid
• IUPAC Traditional name: (5-bromo-4-chloro-1H-indol-3-yl)oxyphosphonic acid; P-toluidine
• Synonyms: 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; BCIP® 对甲苯胺盐; 5-溴-4-氯-3-吲哚磷酸 对甲苯胺盐

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 1.726015
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.10124553
• LogD (pH = 7.4): -0.6621499
• Log P: 2.4873745
• Molar Refractivity: 62.4259 cm^3
• Polarizability: 25.400608 Å^3
• Polar Surface Area: 82.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF: soluble20 mg/mL; H2O: insoluble
• Apperance: powder; tablet
• Melting Point: 204-207°C

Safety Information

• Storage Condition: -20°C, Store Under Nitrogen, Protect from light
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

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

DETAILS

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.
Legal Information
BCIP is a registered trademark of 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.
Legal Information
BCIP is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

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