3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride

Basic Information

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CAS Number

298-83-9

Molecular Formula

C40H30Cl2N10O6

Molecular Weight

817.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

223°C

Water Solubility

Soluble in water, ethanol and methanol.

Solubility

methanol: 50 mg/mL, clear, very strongly yellow

Refractive Index

1.7350 (estimate)

SMILES

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COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]

InChI

InChI=1S/C40H30N10O6.2ClH/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;;/h3-26H,1-2H3;2*1H/q+2;;/p-2

InChIKey

FSVCQIDHPKZJSO-UHFFFAOYSA-L

LogP

1.29040

Complexity

1180

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Stability

Stable, but store cold.

Sensitiveness

Light Sensitive

Synonyms & References

English

2,2'-Di-p-nitrophenyl-5,5'-diphenyl-(3,3'-dimethoxy)-4,4'-bisphenyleneditetrazolium Chloride
Nitrotetrazolium Blue chloride, 90.0%
p-Nitroblue Tetrazolium Chloride
NitroBluetetrazoliumchloride
HB0526
D02003
Nitrotetrazolium Blue chloride, >=88% (T)
DTXCID4026719
2,2'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride
p-Nitro-Blue tetrazolium chloride
AC-7502
NBT, 4-Nitro blue tetrazolium chloride, crystals
Nitro Blue tetrazolium salt
C40H30Cl2N10O6
EINECS 206-067-4
3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride]
p-Nitro Blue tetrazolium chloride
AM84907
Nitroblue tetrazolium chloride
298-83-9
AKOS015896403
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-(4-nitrophenyl)-5-phenyl-, chloride (1:2)
Nitrotetrazolium Blue chloride
UNII-X44P41F7ZK
J-610019
N-8100
NCGC00167567-01
TD8082
5,5'-Diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichloride
NBT
Nitro Blue Tetrazolium, tablet

MDL Number

MFCD00150013

Customs Code

32041900

FAQ

What is 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9)?

3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) is a synthetic organic compound characterized by its complex structure containing two tetrazole rings connected via a biphenyl linker. It is a yellow solid with high solubility in polar solvents and exhibits strong absorption in the ultraviolet spectrum. This compound is commonly used in chemical research and has potential applications in the development of pharmaceuticals and materials science.

What are the main uses of 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9)?

3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) is primarily used in pharmaceutical research for its potential as a ligand or scaffold in drug design. It is also employed in materials science for its photophysical properties and may find applications in the synthesis of functional materials, dyes, and other specialty chemicals. Additionally, it is used in chemical synthesis as an intermediate for various compounds.

Is 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) safe?

3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) is generally considered safe when handled properly. However, it may have potential toxicity depending on exposure levels, and care should be taken to avoid inhalation, skin contact, or ingestion. Protective equipment such as gloves, goggles, and a lab coat is recommended, and it should be stored in a secure, well-ventilated area to minimize risks.

How should 3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) be stored?

3,3'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride (CAS: 298-83-9) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it must be kept in a sealed container away from direct sunlight. Storage in a fume hood or under inert atmosphere is also recommended to ensure stability and prevent degradation.