2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ5,3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ5,3,4-tetrazol-2-ylium 4-methylaniline [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid dichloride

• ChemBase ID: 156019
• Molecular Formular: C55H45BrCl3N12O10P
• Molecular Mass: 1251.256961
• Monoisotopic Mass: 1248.13681737
• SMILES: Cc1ccc(cc1)N.COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.c1cc(c(c2c1[nH]cc2OP(=O)(O)O)Cl)Br.[Cl-].[Cl-]
• Canonical SMILES: Brc1ccc2c(c1Cl)c(c[nH]2)OP(=O)(O)O.Cc1ccc(cc1)N.COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.[Cl-].[Cl-]
• InChI: InChI=1S/C40H30N10O6.C8H6BrClNO4P.C7H9N.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6;;/h3-26H,1-2H3;1-3,11H,(H2,12,13,14);2-5H,8H2,1H3;2*1H/q+2;;;;/p-2
• InChIKey: GDPIIVBVMSORRQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium 4-methylaniline [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid dichloride
• IUPAC Traditional name: (5-bromo-4-chloro-1H-indol-3-yl)oxyphosphonic acid P-toluidine nitro blue tetrazolium(2+) dichloride
• Synonyms: BCIP®/NBT; NBT-X-phosphate; NBT-BCIP® solution; NBT-X-磷酸盐; NBT-BCIP® 溶液

Database IDs

• PubChem SID: 162250157
• PubChem CID: 71312258

CALCULATED PROPERTIES

• Rotatable Bonds: 13
• Lipinski's Rule of Five: false
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): 4.4200516
• LogD (pH = 7.4): 4.4200516
• Log P: 4.4200516
• Molar Refractivity: 275.26 cm^3
• Polarizability: 82.24111 Å^3
• Polar Surface Area: 179.28 Å^2

PROPERTIES

Physical Property

• Flash Point: 152.6 °F; 67 °C

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Grade: suitable as substrate for alkaline phosphatase in dot blots
• Product Line: BioReagent

DETAILS

Sigma Aldrich - 72091

Other Notes
Chromogenic phosphatase substrate producing a blue-colored precipitate at the site of enzymatic activity1
Physical form
solution of 18.8 mg/ml nitro-blue tetrazolium chloride; 9.4 mg/ml 5-bromo-4-chloro-3-indolylphosphate toluidine salt in 67% DMSO
Legal Information
BCIP is a registered trademark of Sigma-Aldrich Co. LLC