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HomeProduct name list1-NITROHEXANE

1-NITROHEXANE

  • CAS NO.:646-14-0
  • Empirical Formula: C6H13NO2
  • Molecular Weight: 131.17
  • MDL number: MFCD00007411
  • EINECS: 211-467-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:52
1-NITROHEXANE Structural

What is 1-NITROHEXANE?

Chemical properties

Colourless Liquid

The Uses of 1-NITROHEXANE

1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.

Definition

ChEBI: 1-nitrohexane is a primary nitroalkane that is hexane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a hexane.

Synthesis Reference(s)

The Journal of Organic Chemistry, 44, p. 659, 1979 DOI: 10.1021/jo01318a050
Synthesis, p. 835, 1978 DOI: 10.1055/s-1978-24907

General Description

Clear colorless liquid. Insoluble in water.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Nitroalkanes, such as 1-NITROHEXANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.

Fire Hazard

Flash point data for 1-NITROHEXANE are not available. 1-NITROHEXANE is combustible.

Properties of 1-NITROHEXANE

Melting point: 23.5°C (estimate)
Boiling point: 91-92 °C/24 mmHg (lit.)
Density  0.94 g/mL at 25 °C (lit.)
refractive index  n20/D 1.423(lit.)
Flash point: 72 °C
storage temp.  -20°C Freezer
solubility  Dichloromethane, Chloroform, Ethyl Acetate, Methanol
pka 8.65±0.29(Predicted)
form  Clear Colourless Liquid
BRN  1749466
Stability: Stable. Incompatible with strong bases, strong oxidizing agents.
EPA Substance Registry System 1-Nitrohexane (646-14-0)

Safety information for 1-NITROHEXANE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1-NITROHEXANE

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