2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile)

Basic Information

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CAS Number

626-89-1

Molecular Formula

C12H20N4O2

Molecular Weight

102.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-48.42°C (estimate)

Boiling Point

152°C

Density

0.821 g/mL at 25 °C

Refractive Index

n20/D 1.414(lit.)

SMILES

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CC(C)CCCO

InChI

InChI=1S/C12H20N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h17-18H,3-8H2,1-2H3/b16-15+

InChIKey

IWTIJBANDVIHPX-FOCLMDBBSA-N

LogP

1.4149

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

33.2

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

4-Methylpentan-1-ol
Isohexanol
4-Methyl-1-pentanol
2-Methyl-5-pentanol
4-methyl-1-pentano
4-Methylpcntanol
4-methylpentanol
4-METHYLPENTANOL-1
4-methylpentyl alcohol
ISOAMYL CARBINOL
iso-hexyl alcohol
Isohexyl alcohol
iso-Hexanol
1-Pentanol, 4-methyl-
Pentanol, 4-methyl-
4-Methyl-pentan-1-ol
X796XFP7D4
PCWGTDULNUVNBN-UHFFFAOYSA-N
NSC91492
DSSTox_CID_8683
DSSTox_RID_80146
DSSTox_GSID_44313
4-Methyl-1-p

MDL Number

MFCD00002962

FAQ

What are the physical and chemical properties of 2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) (CAS: 626-89-1)?

2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) is a crystalline compound with a molecular weight of approximately 244.23 g/mol. It is slightly soluble in water and ethanol. It has moderate reactivity, particularly towards nucleophiles and reducing agents. The compound exhibits diazo linkage which can participate in various chemical reactions, including nitrosation and reduction.

How is 2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) (CAS: 626-89-1) typically synthesized?

2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) is typically synthesized via the diazotization of the corresponding amine followed by condensation with the nitrile. Commonly used reagents include sodium nitrite and hydrochloric acid. The reaction is typically carried out under mild conditions to achieve high selectivity and yield.

What industries use 2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) (CAS: 626-89-1)?

2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of organic compounds and dyes. It is also utilized in the production of polymers and as a component in sensors and semiconductors.

What precautions should be taken when handling 2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile) (CAS: 626-89-1)?

When handling 2,2'-[(E)-1,2-Diazenediyl]bis(5-hydroxy-2-methylpentanenitrile), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be handled with appropriate absorbent materials and cleaned up according to safety data sheet (SDS) guidelines.