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| CAS No.: | 79-46-9 | |
|---|---|---|
| Name: | 2-Nitropropane | |
| Article Data: | 65 | |
| Molecular Structure: | ||
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| Formula: | C3H7 N O2 | |
| Molecular Weight: | 89.0941 | |
| Synonyms: | 1-Methylnitroethane;2-Nitropropane; Dimethylnitromethane; Isonitropropane; NSC 5369 | |
| EINECS: | 201-209-1 | |
| Density: | 0.992 | |
| Melting Point: | -93 ºC | |
| Boiling Point: | 119-122 ºC | |
| Flash Point: | 28 ºC | |
| Solubility: | 1.7 g/100 mL (20 ºC) | |
| Appearance: | liquid | |
| Hazard Symbols: |
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| Risk Codes: | R10;R20/22;R45 | |
| Safety: | Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Poison by intraperitoneal route. Moderately toxic by ingestion and inhalation. Human systemic effects by inhalation: anorexia, hypermotility, diarrhea, nausea or vomiting. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Can cause liver and kidney injury, methemoglobinemia, and cyanosis. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. May explode on heating. Violent reactions with chlorosulfonic acid, oleum. May react with amines + heavy metal oxides (e.g., mercury oxide or silver oxide) to form explosive salts. May ignite on contact with mixtures of carbon + hopcalite, which are used in some respirators. Hopcalite is a catalyst consisting of coprecipitated copper(II) oxide and manganese(IV) oxide. To fight fire, use alcohol foam, CO2, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NOx. | |
Analytical Methods: | For occupational chemical analysis use OSHA: #46 or NIOSH: 2-Nitropropane, 2528. |
|
| Transport Information: | UN 2608 | |
| PSA: | 45.82000 | |
| LogP: | 1.19470 | |
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| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; sodium carbonate In methanol at 60℃; under 750.075 Torr; | 96.5% |
| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; air; Nitrogen dioxide In various solvent(s) at 100℃; under 3800.26 Torr; for 14h; | 65% |
| With water; nitric acid at 185 - 215℃; under 46337 Torr; | |
| With oxygen; nitric acid in der Gasphase; |
| Conditions | Yield |
|---|---|
| With sodium nitrite In N,N-dimethyl-formamide at 50℃; for 5h; Reagent/catalyst; Solvent; Time; | 70.9% |
| With poly(N-ethyl-4-vinylpyridinium)nitrite In hexane at 20℃; for 72h; | 63% |
| With sodium nitrite In N,N,N,N,N,N-hexamethylphosphoric triamide at 65℃; for 5h; | 11% |
| With sodium nitrite at 65℃; Product distribution; various sovents and reaction times; |
| Conditions | Yield |
|---|---|
| With nitric acid; butyric acid In water at 220℃; under 73162.7 Torr; for 0.0333333h; |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; dihydrogen peroxide In methanol at 70℃; under 760.051 Torr; Green chemistry; chemoselective reaction; | 88 %Chromat. |
| With ammonium hydroxide; dihydrogen peroxide In methanol at 65 - 75℃; for 1h; Reagent/catalyst; Temperature; Green chemistry; |
- 74-98-6
propane
A
- 79-24-3
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B
- 79-46-9
2-nitropropane
C
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acetic acid
D
- 108-03-2
1-Nitropropane
E
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acetone
| Conditions | Yield |
|---|---|
| With nitric acid; propionic acid In water at 235℃; under 73162.7 Torr; |
| Conditions | Yield |
|---|---|
| With ammonia; dihydrogen peroxide at 61.84℃; for 2h; chemoselective reaction; | |
| With ammonia; dihydrogen peroxide In water at 70℃; for 8h; Temperature; Molecular sieve; |
| Conditions | Yield |
|---|---|
| With nitric acid at 400℃; | |
| With Nitrogen dioxide at 250 - 795℃; | |
| With Nitrogen dioxide at 250℃; | |
| With nitric acid In water at 285℃; under 72402.6 Torr; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With sodium nitrite at 60℃; under 0 Torr; for 48h; |
- 80041-89-0
isopropylboronic acid
- 79-46-9
2-nitropropane
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; [bis(trifluoroacetoxy)iodo]benzene; sodium nitrite In acetonitrile at 20℃; for 3h; regioselective reaction; | 74% |
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Chemistry
Chemistry informtion about 2-Nitropropane (CAS NO.79-46-9) is:
IUPAC Name: 2-Nitropropane
Synonyms: 2-Nitro-Propan ; B-Nitropropane ; Dimethylnitromethane ; I-C3h7no2 ; Nipar S-20 ; Nipar S-20 Solvent ; Nipar S-30 Solvent ; Nipars-20
Product Categories: Organics ; Nitro Compounds ; Nitrogen Compounds ; Organic Building Blocks
MF: C7H7NO
MW: 121.14
EINECS: 210-261-4
Density: 0.976 g/cm3
Melting Point: -93 °C
Flash Point: 31.3 °C
Boiling Point: 121.2 °C at 760 mmHg
Vapour Pressure: 14.7 mmHg at 25°C
Enthalpy of Vaporization: 35.93 kJ/mol
Refractive index n20/D 1.394(lit.)
Storage temp.: Flammables area
Water Solubility: 1.7 g/100 mL (20 ºC)
Merck: 6628
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, copper.
Following is the molecular structure of 2-Nitropropane (CAS NO.79-46-9) is:
Uses
2-Nitropropane (CAS NO.79-46-9) is used for a variety of resins, waxes, fats, dyes and paint solvents, synthetic medicine, pesticide intermediates, etc.
Production
Preparation Products are Propylamine-->9,10-Anthracenedicarboxaldehyde-->Nitroethane-->N-Isopropylhydroxylamine Hydrochloride-->1-Nitropropane -->2-Amino-2-Methyl-1-Propanol-->Methyl 4-Formylbenzoate
Raw Materials are Nitric Acid-->Nitromethane-->Nitroethane-->1-Nitropropane
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LCLo | inhalation | 714ppm/5H (714ppm) | sense organs and special senses: lacrimation: eye lungs, thorax, or respiration: dyspnea gastrointestinal: changes in structure or function of salivary glands | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952. |
| guinea pig | LCLo | inhalation | 4622ppm/5H (4622ppm) | behavioral: convulsions or effect on seizure threshold lungs, thorax, or respiration: dyspnea lungs, thorax, or respiration: cyanosis | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952. |
| man | TCLo | inhalation | 20ppm (20ppm) | behavioral: anorexia (human gastrointestinal: "hypermotility, diarrhea" gastrointestinal: nausea or vomiting | Industrial Medicine. Vol. 16, Pg. 441, 1947. |
| mouse | LC50 | inhalation | 10gm/m3/2H (10000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 94, 1982. | |
| mouse | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | National Technical Information Service. Vol. AD691-490, | |
| rabbit | LCLo | inhalation | 2381ppm/5H (2381ppm) | behavioral: convulsions or effect on seizure threshold lungs, thorax, or respiration: cyanosis lungs, thorax, or respiration: dyspnea | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952. |
| rabbit | LDLo | oral | 500mg/kg (500mg/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 | LC50 | inhalation | 400ppm/6H (400ppm) | Journal of Environmental Pathology and Toxicology. Vol. 2(5), Pg. 233, 1979. | |
| rat | LD50 | oral | 720mg/kg (720mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 430, 1969. | |
| rat | LDLo | intraperitoneal | 1100mg/kg (1100mg/kg) | blood: methemoglobinemia-carboxyhemoglobin | Bulletin de la Societe de Pharmacie de Lille. Vol. (2), Pg. 83, 1972. |
Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 ,1982,p. 331.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 ,1982,p. 331.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Community Right-To-Know List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Poison by intraperitoneal route. Moderately toxic by ingestion and inhalation. Human systemic effects by inhalation: anorexia, hypermotility, diarrhea, nausea or vomiting. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Can cause liver and kidney injury, methemoglobinemia, and cyanosis. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. May explode on heating. Violent reactions with chlorosulfonic acid, oleum. May react with amines + heavy metal oxides (e.g., mercury oxide or silver oxide) to form explosive salts. May ignite on contact with mixtures of carbon + hopcalite, which are used in some respirators. Hopcalite is a catalyst consisting of coprecipitated copper(II) oxide and manganese(IV) oxide. To fight fire, use alcohol foam, CO2, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:
T
Risk Statements:
R45:May cause cancer.
R10:Flammable.
R20/22:Harmful by inhalation and if swallowed.
Safety Statements:
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2608 3/PG 3
WGK Germany: 3
RTECS: TZ5250000
HazardClass: 3.2
PackingGroup: III
HS Code: 29042000
Standards and Recommendations
OSHA PEL: TWA 10 ppm
ACGIH TLV: TWA 10 ppm; Animal Carcinogen
DFG MAK: DFG TRK: Animal Carcinogen, Suspected Human Carcinogen
NIOSH REL: (2-Nitropropane) TWA reduce to lowest feasible level
DOT Classification: 3; Label: Flammable Liquid
Analytical Methods
For occupational chemical analysis use OSHA: #46 or NIOSH: 2-Nitropropane, 2528.
Specification
2-Nitropropane (CAS NO.79-46-9) is colorless liquid with a mild fruity odor. It may float on or sink in water.It is highly flammable.It is sensitive to heat. Can react with amines/heavy metal oxides, strong acids, strong alkalis, and chlorosulfonic acid. . The heat of adsorption of 2-Nitropropane on carbon, such as that found in cartridge respirators, is extremely high. Metal oxide catalysts, such as copper oxide or manganese oxide, can initiate ignition, therefore carbon respirators should not be used in environments that have a high vapor concentration of 2-Nitropropane.It causes respiratory tract irritation, headache, dizziness, nausea, and diarrhea. Ingestion causes irritation of mouth and stomach. Contact with liquid irritates eyes and causes mild irritation of skin. Toxic oxides of nitrogen may form in fire.