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2-Nitropropane

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Name

2-Nitropropane

EINECS 201-209-1
CAS No. 79-46-9 Density 0.992
PSA 45.82000 LogP 1.19470
Solubility 1.7 g/100 mL (20 ºC) Melting Point -93 ºC
Formula C3H7 N O2 Boiling Point 119-122 ºC
Molecular Weight 89.0941 Flash Point 28 ºC
Transport Information UN 2608 Appearance liquid
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.

Risk Codes R10;R20/22;R45   
Molecular Structure Molecular Structure of 79-46-9 (2-Nitropropane) Hazard Symbols
Synonyms

1-Methylnitroethane;2-Nitropropane; Dimethylnitromethane; Isonitropropane; NSC 5369

Article Data 65

2-Nitropropane Synthetic route

127-06-0

acetone oxime

79-46-9

2-nitropropane

Conditions
ConditionsYield
With dihydrogen peroxide; sodium carbonate In methanol at 60℃; under 750.075 Torr;96.5%
74-98-6

propane

79-46-9

2-nitropropane

Conditions
ConditionsYield
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;
75-26-3

isopropyl bromide

79-46-9

2-nitropropane

Conditions
ConditionsYield
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;
74-98-6

propane

A

79-46-9

2-nitropropane

B

64-19-7

acetic acid

C

108-03-2

1-Nitropropane

D

67-64-1

acetone

Conditions
ConditionsYield
With nitric acid; butyric acid In water at 220℃; under 73162.7 Torr; for 0.0333333h;
67-64-1

acetone

79-46-9

2-nitropropane

Conditions
ConditionsYield
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

Nitroethane

B

79-46-9

2-nitropropane

C

64-19-7

acetic acid

D

108-03-2

1-Nitropropane

E

67-64-1

acetone

Conditions
ConditionsYield
With nitric acid; propionic acid In water at 235℃; under 73162.7 Torr;
67-64-1

acetone

A

79-46-9

2-nitropropane

B

127-06-0

acetone oxime

Conditions
ConditionsYield
With ammonia; dihydrogen peroxide at 61.84℃; for 2h; chemoselective reaction;
With ammonia; dihydrogen peroxide In water at 70℃; for 8h; Temperature; Molecular sieve;
74-98-6

propane

A

79-46-9

2-nitropropane

B

108-03-2

1-Nitropropane

Conditions
ConditionsYield
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;
2973-10-6

diisopropyl sulfate

79-46-9

2-nitropropane

Conditions
ConditionsYield
With sodium nitrite at 60℃; under 0 Torr; for 48h;
80041-89-0

isopropylboronic acid

79-46-9

2-nitropropane

Conditions
ConditionsYield
With N-Bromosuccinimide; [bis(trifluoroacetoxy)iodo]benzene; sodium nitrite In acetonitrile at 20℃; for 3h; regioselective reaction;74%

2-Nitropropane Chemical Properties

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:

2-Nitropropane 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.

2-Nitropropane 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

2-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.

2-Nitropropane 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.

2-Nitropropane 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:
ToxicT
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

2-Nitropropane 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

2-Nitropropane Analytical Methods

For occupational chemical analysis use OSHA: #46 or NIOSH: 2-Nitropropane, 2528.

2-Nitropropane 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.

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