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Name |
Nitromethane |
EINECS | 200-876-6 |
CAS No. | 75-52-5 | Density | 1.055 g/cm3 |
PSA | 45.82000 | LogP | 0.41610 |
Solubility | 9.5 g/100 mL (20 °C ) in water | Melting Point |
-29 °C |
Formula | CH3NO2 | Boiling Point | 85.1 °C at 760 mmHg |
Molecular Weight | 61.0403 | Flash Point | 35 °C |
Transport Information | UN 1261 3/PG 2 | Appearance | clear liquid |
Safety | 41 | Risk Codes | 5-10-22 |
Molecular Structure | Hazard Symbols | Xn,F,Xi | |
Synonyms |
Nitromethane [UN1261] [Flammable liquid];Nitrometan (Polish);Nitromethane(Methyl Nitrobenzene);Nitrometan;methane, nitro-;Nitrocarbol;Nitrometan [Polish]; |
Article Data | 163 |
Conditions | Yield |
---|---|
With dihydrogen peroxide; triethylamine In tert-butyl alcohol at 60℃; under 6000.6 Torr; | 96.5% |
Conditions | Yield |
---|---|
With sodium carbonate; sodium nitrite In water at 30℃; for 3h; Reagent/catalyst; Temperature; | 84% |
With sodium nitrite In water at 60℃; | 75% |
With water; sodium carbonate; sodium nitrite zuletzt bei 120grad; |
Conditions | Yield |
---|---|
With nitronium tetrafluoborate In sulfolane at 80℃; for 2h; Product distribution; Mechanism; other alkyl- and allylsilanes; other temperature, var. solvents; | A 80% B n/a |
6-chloro-1-hexanol
methyl 2-nitroacetate
A
nitromethane
B
carbon dioxide
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 100℃; for 1.5h; Sealed tube; Inert atmosphere; | A n/a B n/a C 76% |
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 100℃; for 1.5h; Catalytic behavior; Reagent/catalyst; Temperature; Sealed tube; Inert atmosphere; | A n/a B n/a C 69% |
Conditions | Yield |
---|---|
With tetrabutylammonium nitrite In chloroform-d1 at 20℃; | A 67% B 28 % Spectr. |
With silver(I) nitrite | |
With silver nitrate |
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 100℃; for 1.5h; Sealed tube; Inert atmosphere; | A n/a B n/a C 66% |
methyl 2-nitroacetate
allyl alcohol
A
nitromethane
B
carbon dioxide
C
allyl 2-nitroacetate
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 100℃; for 1.5h; Sealed tube; Inert atmosphere; | A n/a B n/a C 66% |
ethanol
methyl 2-nitroacetate
A
nitroacetic acid ethyl ester
B
nitromethane
C
carbon dioxide
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 100℃; for 1.5h; Catalytic behavior; Reagent/catalyst; Temperature; Sealed tube; Inert atmosphere; | A 61% B n/a C n/a |
Conditions | Yield |
---|---|
With tetrabutylammonium nitrite In chloroform-d1 at 20℃; | A 60% B 29 % Spectr. |
For occupational chemical analysis use NIOSH: Nitromethane, 2527.
The Nitromethane, with the CAS registry number 75-52-5, is also known as Methane, nitro-. It belongs to the product categories of Organics; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; Analytical Reagents for General Use; I-N, Puriss p.a.; Puriss p.a.; Reagent Grade Solvents; Reagent Semi-Bulk Solvents; Reagent Solvents; Spectrophotometric Grade Solvents; Spectrophotometric Grade Solvents; Reagent Plus(R) Solvent Grade Products; ReagentPlus(R) Solvents; Chromasolv for HplcSolvents; Chromasolv Solvents (Hplc, LC-MS); Chromasolv(R) Hplc Grade Solvents; Alpha Sort; N-O; Volatiles/ Semivolatiles; ACS Grade Solvents; ACS GradeSemi-Bulk Solvents; ACS Grade Solvents; Amber Glass Bottles; Carbon Steel Cans with NPT Threads; Solvent Bottles. Its EINECS registry number is 200-876-6. This chemical's molecular formula is CH3NO2 and molecular weight is 61.04. Its IUPAC name is called nitromethane. What's more, this chemical's classification code is Tumor data.
Physical properties of Nitromethane: (1)#H bond acceptors: 3; (2)Index of Refraction: 1.358; (3)Molar Refractivity: 12.7 cm3; (4)Molar Volume: 57.8 cm3; (5)Surface Tension: 25.9 dyne/cm; (6)Density: 1.055 g/cm3; (7)Flash Point: 35 °C; (8)Enthalpy of Vaporization: 31.2 kJ/mol; (9)Boiling Point: 85.1 °C at 760 mmHg; (10)Vapour Pressure: 78.6 mmHg at 25°C.
Preparation of Nitromethane: this chemical is produced industrially by treating propane with nitric acid at 350–450 °C (622–842 °F). In addition, it can be prepared in other methods that are of instructional value. The reaction of sodium chloroacetate with sodium nitrite in aqueous solution produces this compound:
ClCH2COONa + NaNO2 + H2O → CH3NO2 + NaCl + NaHCO3
Uses of Nitromethane: The principal use of nitromethane is as a stabilizer for chlorinated solvents, which are used in dry cleaning, semiconductor processing, and degreasing. It is also used most effectively as a solvent or dissolving agent for acrylate monomers, such as cyanoacrylates. In organic synthesis nitromethane is employed as a one carbon building block. In more specialized organic synthesis, nitromethane serves as a Michael donor, adding to α,β-unsaturated carbonyl compounds via 1,4-addition in the Michael reaction. In a minor application, nitromethane is used as a fuel in racing, particularly drag racing, as well as for rockets and model airplanes and commonly referred to in this context as "nitro". Nitromethane can also be used as a monopropellant, i.e., a fuel that burns without added oxygen. The following equation describes this process:
2 CH3NO2 → 2 CO + 2 H2O + H2 + N2
When you are using this chemical, please be cautious about it. This chemical is harmful if swallowed. In addition, it is highly flammable and irritant. If heating may cause an explosion. In case of fire and/or explosion do not breathe fumes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[N+](=O)[O-]
(2)InChI: InChI=1S/CH3NO2/c1-2(3)4/h1H3
(3)InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 800mg/kg (800mg/kg) | LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955. |
dog | LDLo | oral | 125mg/kg (125mg/kg) | KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" | AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955. |
guinea pig | LCLo | inhalation | 5000ppm/3H (5000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940. | |
monkey | LCLo | inhalation | 1000ppm (1000ppm) | Industrial Medicine. Vol. 16, Pg. 441, 1947. | |
mouse | LCLo | inhalation | 18gm/m3/2H (18000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 93, 1982. | |
mouse | LD50 | intraperitoneal | 110mg/kg (110mg/kg) | Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976. | |
mouse | LD50 | oral | 950mg/kg (950mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967. | |
rabbit | LCLo | inhalation | 5000ppm/6H (5000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940. | |
rabbit | LD | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0516767, | |
rabbit | LDLo | intravenous | 750mg/kg (750mg/kg) | AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955. | |
rabbit | LDLo | oral | 750mg/kg (750mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: ATAXIA | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940. |
rat | LCLo | inhalation | 12750mg/m3/1H (12750mg/m3) | National Technical Information Service. Vol. OTS0516767, | |
rat | LD50 | oral | 940mg/kg (940mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967. | |
rat | LDLo | intraperitoneal | 1500mg/kg (1500mg/kg) | Bulletin de la Societe de Pharmacie de Lille. Vol. (1), Pg. 29, 1973. |