1-Nitrohexane

Basic Information

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CAS Number

646-14-0

Molecular Formula

C6H13NO2

Molecular Weight

131.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

23.5°C (estimate)

Boiling Point

91-92 °C/24 mmHg

Density

0.94 g/mL at 25 °C

Refractive Index

n20/D 1.423(lit.)

SMILES

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CCCCCCN(=O)=O

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

InChIKey

FEYJIFXFOHFGCC-UHFFFAOYSA-N

LogP

1.8434

Topological Polar Surface Area

43.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

77.6

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Synonyms & References

English

1-Nitrohexane
NULL
1-nitro-hexane
1-nitro-n-hexane
Nitrohexane

MDL Number

MFCD00007411

Customs Code

2904209090

FAQ

What regulatory guidelines apply to 1-Nitrohexane (CAS: 646-14-0)?

1-Nitrohexane (CAS: 646-14-0) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a flammable liquid and a skin irritant. It is subject to registration under the European Union’s REACH regulations. In the United States, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for safety and environmental protection.

Are there alternatives to 1-Nitrohexane (CAS: 646-14-0) in synthesis?

There are several alternatives to 1-Nitrohexane in synthesis, such as 1-Hexanol or 1-Nitro-2-methylpentane. These compounds can serve as substrates for similar reactions and offer safer handling properties. The choice of alternative depends on the specific reaction conditions and the desired product profile.

What is the market or research trend for 1-Nitrohexane (CAS: 646-14-0)?

The market for 1-Nitrohexane (CAS: 646-14-0) is driven by its applications in the synthesis of pharmaceuticals and agrochemicals. Research trends include exploring its use in sustainable chemical processes and developing safer alternatives. Market trends indicate growing interest in environmentally friendly chemicals and strict regulatory compliance.

How should waste containing 1-Nitrohexane (CAS: 646-14-0) be handled?

Waste containing 1-Nitrohexane (CAS: 646-14-0) should be collected in sealed, leak-proof containers and stored in a well-ventilated area. It should be disposed of by incineration or through professional waste disposal services that comply with environmental regulations. Proper safety precautions, including personal protective equipment, should be followed to prevent exposure and environmental contamination.