4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid)

Basic Information

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CAS Number

2638-94-0

Molecular Formula

C12H16N4O4

Molecular Weight

280.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

118-125 °C (dec.)

Boiling Point

423°C (rough estimate)

Water Solubility

Soluble in water.

Flash Point

503.6 °C at 760 mmHg

Refractive Index

1.6081 (estimate)

SMILES

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CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+

InChIKey

VFXXTYGQYWRHJP-FOCLMDBBSA-N

LogP

1.73276

Complexity

466

Safety Information

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GHS Hazard Pictograms

H228

Hazard Statement

H228 Flammable solid
Flammable solids

Hazard Class

Class 4.1 Class 4.1

Sensitiveness

Light Sensitive

Synonyms & References

English

Pentanoic acid, 4,4'-azobis[4-cyano-
DTXSID00859752
4,4'-Azobis(4-cyanovaleric acid), >=75%
4,4'-Azobis(4-cyanovaleric acid)
4,4'-Azobis(4-cyanovaleric acid), >=98.0% (T)
Tox21_302513
Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano-
Pentanoic acid, 4,4'-(1,2-diazenediyl)bis(4-cyano-
CHEMBL3185815
CS-W012275
FT-0700071
4-[(E)-2-(3-CARBOXY-1-CYANO-1-METHYLPROPYL)DIAZEN-1-YL]-4-CYANO-4-METHYLBUTANOIC ACID
W-107175
EINECS 220-135-0
BRN 1729856
DTXCID1024629
4,4'-(1E)-1,2-Diazenediylbis[4-cyanopentanoic acid]
4,4'-Azobis[4-cyanovaleric acid]
4,4'-Azobis-4-cyanovaleric acid
Pentanoic acid,4'-azobis[4-cyano-
4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
C12H16N4O4
VFXXTYGQYWRHJP-UHFFFAOYSA-N
Azobis(cyanovaleric acid)
4,4-Azobis(4-cyanovaleric acid)
AKOS015853607
4,4'-(Diazene-1,2-diyl)bis(4-cyanopentanoic acid)
1041193-98-9
Kyselina 4,4'-azo-bis-(4-kyanvalerova) [Czech]
4,4'-Azobis(4-cyanovaleric) acid
4,4?-Azobis(4-cyanovaleric Acid)

MDL Number

MFCD00002799

Customs Code

2927000090

FAQ

What are the physical and chemical properties of 4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid) (CAS: 2638-94-0)?

4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid) is a crystalline solid with a molecular weight of approximately 313.2 g/mol. It has a high melting point and is poorly soluble in water but soluble in organic solvents. Chemically, it is known for its reactivity, particularly in its ability to participate in azide-alkyne cycloaddition reactions.

How is 4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid) (CAS: 2638-94-0) typically synthesized?

This compound is commonly synthesized via the condensation of 4-cyanopentanoyl azide with appropriate aldehydes or ketones. The reaction is typically catalyzed by a transition metal complex such as palladium(II) acetate. The yield and selectivity of the synthesis can be optimized by varying the reaction conditions and catalyst choice.

What industries use 4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid) (CAS: 2638-94-0)?

This compound finds applications in various industries, including pharmaceuticals, where it is used in the synthesis of azido-containing compounds for drug development. It is also used in the polymer industry for functionalizing polymers and in the development of smart materials. Additionally, it has applications in sensors and semiconductors due to its reactivity and diverse chemical functionality.

What precautions should be taken when handling 4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid) (CAS: 2638-94-0)?

When handling 4,4'-[(E)-1,2-Diazenediyl]bis(4-cyanopentanoic acid), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents and the site should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.