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79-46-9

Basic Information
CAS No.: 79-46-9
Name: Propane, 2-nitro-
Molecular Structure:
Molecular Structure of 79-46-9 (Propane, 2-nitro-)
Formula: C3H7 N O2
Molecular Weight: 89.11
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:
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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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:
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

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.