ChemicalBook--->CAS DataBase List--->1122-60-7

1122-60-7

1122-60-7 Structure

1122-60-7 Structure
IdentificationBack Directory
[Name]

NITROCYCLOHEXANE
[CAS]

1122-60-7
[Synonyms]

ai3-14828[qr]
nitro-cyclohexan
NITROCYCLOHEXANE
1-Nitrocyclohexane
HEXAHYDRONITROBENZENE
Nitrocyclohexane ,97%
cyclohexane,nitro-[qr]
[EINECS(EC#)]

214-354-0
[Molecular Formula]

C6H11NO2
[MDL Number]

MFCD00003843
[MOL File]

1122-60-7.mol
[Molecular Weight]

129.16
Chemical PropertiesBack Directory
[Appearance]

Nitrocyclohexane is a highly flammable, colorless liquid.
[Melting point ]

−34 °C(lit.)
[Boiling point ]

205.5-206 °C768 mm Hg(lit.)
[density ]

1.061 g/mL at 25 °C(lit.)
[vapor density ]

4.46 (vs air)
[vapor pressure ]

768 mm Hg ( 205 °C)
[refractive index ]

n20/D 1.462(lit.)
[Fp ]

166 °F
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

soluble in Alcohol
[form ]

clear liquid
[pka]

8.44±0.20(Predicted)
[color ]

Light orange to Yellow to Green
[EPA Substance Registry System]

Nitrocyclohexane (1122-60-7)
Questions And AnswerBack Directory
[Uses]

Nitrocyclohexane is an important chemical intermediate and organic solvent. Due to its unique reactivity and physicochemical properties, it has become an important raw material in the fields of pharmaceuticals, surfactants, solvents, lubricants and emulsifiers, and can produce nearly two thousand derivatives.
Hazard InformationBack Directory
[Chemical Properties]

Colorless to dark yellow liquid
[Definition]

ChEBI: A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.
[General Description]

Colorless liquid.
[Air & Water Reactions]

Highly Flammable
[Reactivity Profile]

Nitroalkanes, such as NITROCYCLOHEXANE, 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.
[Potential Exposure]

Used in organic synthesis.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Speed in removing material from skin is of extreme importance. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Keep victim quiet and maintain normal body temperature. Effects may be delayed; keep victim under observation.
[Shipping]

UN3382 Toxic by inhalation liquid, n.o.s. with an LC50 lower than or equal to 1000 ml/m3 and saturated vapor concentration ≥10 LC50, Hazard Class: 6.1; Labels: 6.1 Technical Name Required, Inhalation Hazard Zone B.
[Incompatibilities]

A nitro compound; a fire and explosive hazard. May form explosive mixture with air. Nitrocyclohexane, a nitroalkane, is a 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. Incompatible with alkalis, and metal oxides. This chemical is highly reactive and may be heat-and shock-sensitive.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 75, p. 4047, 1953 DOI: 10.1021/ja01112a049
Tetrahedron, 46, p. 7443, 1990 DOI: 10.1016/S0040-4020(01)89059-1
Tetrahedron Letters, 21, p. 1117, 1980 DOI: 10.1016/S0040-4039(01)83928-9
[Synthesis]

Nitrocyclohexane is an organic compound that can be prepared by reacting nitrogen dioxide (or nitric acid) with cyclohexane.
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

23/24/25-36/37/38
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3382 6.1/PG 1
[WGK Germany ]

3
[RTECS ]

GV6600000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29049090
[Hazardous Substances Data]

1122-60-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Chloroperoxybenzoic acid-->1,2-Dichloroethane-->Cyclohexylamine
[Preparation Products]

Cyclohexylamine-->3-Amino-2-azepanone-->Cyclamic acid
Spectrum DetailBack Directory
[Spectrum Detail]

NITROCYCLOHEXANE(1122-60-7)MS
NITROCYCLOHEXANE(1122-60-7)1HNMR
NITROCYCLOHEXANE(1122-60-7)13CNMR
NITROCYCLOHEXANE(1122-60-7)IR1
NITROCYCLOHEXANE(1122-60-7)Raman
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