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6578-06-9 molecular structure
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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 and InChIs

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

Cite this record

CBID:102152 http://www.chembase.cn/molecule-102152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
6578-06-9
EC Number
229-506-1
MDL Number
MFCD00040636
PubChem SID
24891823
24892074
24850179
24891510
162088047
PubChem CID
81059

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.726015  H Acceptors
H Donor LogD (pH = 5.5) 0.10124553 
LogD (pH = 7.4) -0.6621499  Log P 2.4873745 
Molar Refractivity 62.4259 cm3 Polarizability 25.400608 Å3
Polar Surface Area 82.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF: soluble20 mg/mL expand Show data source
H2O: insoluble expand Show data source
Apperance
powder expand Show data source
tablet expand Show data source
Melting Point
204-207°C expand Show data source
Storage Condition
-20°C, Store Under Nitrogen, Protect from light expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥98% expand Show data source
≥95.0% (HPLC) expand Show data source
≥99% expand Show data source
≥99% (HPLC) expand Show data source
Grade
for molecular biology expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Foreign Activity
Protease, none detected expand Show data source
Empirical Formula (Hill Notation)
C8H6BrClNO4P · C7H9N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193991 external link
Molecular Biology Reagent
p-Toluidine Salt
Purity: >98%
A chromogenic substrate for alkaline phosphatase in ELISA.
MP Biomedicals - 02100368 external link
p-Toluidine Salt
A histochemical substrate for alkaline phosphatase
Sigma Aldrich - B6777 external link
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 external link
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 external link
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 external link
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

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Horwitz, J.P., et al., J. Med. Chem., 9 , 447 (1966).
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PATENTS

PATENTS

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