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: 2026-01-13 11:17:30
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 | n |
| 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) |
 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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