1-NITROHEXANE
1-NITROHEXANE
  • CAS No.:646-14-0
Other grades of this product :
1-NITROHEXANE Basic information
Product Name:1-NITROHEXANE
Synonyms:1-NITROHEXANE;1-Nitrohexane 98%;1-NITROHEXANE, STANDARD FOR GC;Nitrohexane;Hexane, 1-nitro-
CAS:646-14-0
MF:C6H13NO2
MW:131.17
EINECS:211-467-7
Product Categories:Alpha Sort;Chemical Class;N;NA - NIAnalytical Standards;N-OAlphabetic;Volatiles/ Semivolatiles;All Aliphatics;Aliphatics;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
Mol File:646-14-0.mol
1-NITROHEXANE Chemical Properties
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.)
Fp 72 °C
storage temp. -20°C Freezer
solubility Dichloromethane, Chloroform, Ethyl Acetate, Methanol
form Clear Colourless Liquid
pka8.65±0.29(Predicted)
BRN 1749466
Stability:Stable. Incompatible with strong bases, strong oxidizing agents.
EPA Substance Registry System1-Nitrohexane (646-14-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
RIDADR 2810
WGK Germany 3
8
HazardClass 6.1(b)
PackingGroup III
MSDS Information
ProviderLanguage
SigmaAldrich English
1-NITROHEXANE Usage And Synthesis
Chemical PropertiesColourless Liquid
Uses1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.
Synthesis Reference(s)The Journal of Organic Chemistry, 44, p. 659, 1979 DOI: 10.1021/jo01318a050Synthesis, p. 835, 1978 DOI: 10.1055/s-1978-24907
General DescriptionClear colorless liquid. Insoluble in water.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileNitroalkanes, 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 HazardFlash point data for 1-NITROHEXANE are not available. 1-NITROHEXANE is combustible.
1-NITROHEXANE Preparation Products And Raw materials
Preparation ProductsPENTYL ISOTHIOCYANATE-->N,N-DIMETHYLHEXYLAMINE

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