2-Nitropropane
Also known as Isonitropropane, Propane, 2-nitro-, Dimethylnitromethane
Key facts
What buyers check first
- Appearance
- Colorless liquid
- Melting point
- -91.3 °C
- Boiling point
- 120.2 °C
- Density
- 0.9821 g/cm³ at 25 °C
- Flash point
- 24 °C
- HS code
- 290420
- Category
- Polar aprotic solvents
- UN number
- UN 2608
What is 2-Nitropropane?
Plain description, key identifiers and synonyms
2-nitropropane is a secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120C). It has a role as a xenobiotic, a polar aprotic solvent, a carcinogenic agent and a hepatotoxic agent.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-nitropropane
- CAS number
- 79-46-9 CAS number cross-checked
- EC number
- 201-209-1
- Molecular formula
- C3H7NO2
- UNII
- GKV234L2QH
- MDL number
- MFCD00007397
- InChIKey
- FGLBSLMDCBOPQK-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
- SMILES (canonical and isomeric)
- CC(C)[N+](=O)[O-]
Synonyms
- Isonitropropane
- Propane, 2-nitro-
- Dimethylnitromethane
- Nitroisopropane
- sec-Nitropropane
- Nipar S-20
- beta-Nitropropane
- 2-Nitro-propane
- Nipar S-20 solvent
- Nipar S-30 solvent
- RCRA waste number U171
- propane, 2-nitro
- iso-Nitropropane
- Isonitro propane
- i-C3H7NO2
- Nitropropane, 2-
- 1-Methylnitroethane
- RCRA waste no. U171
- 2-nitro propane
- nipar s-30
- 2-Nitropropane, >=96%
- 2-Nitropropane Solution in Methanol, 1000ug/mL
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Colorless liquidexp.Measured value |
|---|---|
| Odour | Pleasant fruity odor.exp.Measured value |
| Melting point | -91.3 °Cexp.Measured value |
| Boiling point | 120.2 °Cexp.Measured value |
| Density | 0.9821 g/cm³ at 25 °Cexp.Measured value |
| Flash point | 24 °Cexp.Measured value |
| Autoignition temperature | 428 °Cexp.Measured value |
| Solubility | In water, 1.70 × 10⁺⁴ mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 1.72 × 10⁺¹ mm Hg at 25 °C /Extrapolated/exp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 89.09 g/molcalc.Computed value |
|---|---|
| Exact mass | 89.0477 Dacalc.Computed value |
| LogP (octanol/water) | 0.67calc.Computed value |
| Topological polar surface area | 43.14 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 6calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H226Flammable liquid and vapour.
- H302Harmful if swallowed.
- H332Harmful if inhaled.
- H350May cause cancer.
Precautionary statements (22)
- P203Obtain, read and follow all safety instructions before use.
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P233Keep container tightly closed.
- P240Ground and bond container and receiving equipment.
- P241Use explosion-proof electrical, ventilating and lighting equipment.
- P242Use non-sparking tools.
- P243Take action to prevent static discharges.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P330Rinse mouth.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P403 + P235Store in a well-ventilated place. Keep cool.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 2608
- Transport hazard class
- 3
- Packing group
- III
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid2-Nitropropane suppliers
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Where suppliers are based
11 suppliers in 4 countries
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2-Nitropropane price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Solvent in inks, paints, adhesives, varnishes, polymers, synthetic material, as chemical intermediate.
Chemical synthesis, rocket propellant, gasoline additive.
In concentrations ranging from approx 5% to 25% is used in number of solvent systems to improve drying time, to insure more complete solvent release, to provide better flow characteristics and film integrity, to increase wetting ability and electrostatic spraying properties, and to insure greater pigment dispersion.
2-Nitropropane is primarily used as a solvent for organic compounds, coatings, inks, dyes, adhesives, and vinyl resins. It improves drying time, insures more complete solvent release, provides better flow characteristics, and insures greater pigment dispersion. 2-Nitropropane has a minor use as an additive in explosives, propellants, and fuels (in racing cars). It also has limited use as a paint and varnish remover.
Industrial uses: Intermediate.
Roles
- aetiopathogenetic role
- aprotic solvent
- carcinogenic agent
- hepatotoxic agent
- polar aprotic solvent
- polar solvent
- solvent
- xenobiotic
Pharmacology
2-Nitropropane is a synthetic, flammable, colorless liquid that is slightly soluble in water, and miscible with most aromatic hydrocarbons, ketones, esters, ethers and the lower carboxylic acids. It is used primarily both as a chemical intermediate and as a solvent for numerous commercial products. 2-Nitropropane is also used as a component of explosives and propellants, and in fuels for internal combustion engines. The primary routes of potential human exposure to 2-nitropropane are dermal contact, inhalation, and ingestion. Contact with this compound can cause irritation of the eyes and skin.
Read more
Acute inhalation exposure to low levels of 2-nitropropane vapors can result in irritation of the respiratory tract. Breathing higher levels of this chemical may cause anorexia, nausea, vomiting and diarrhea. It is reasonably anticipated to be a human carcinogen. (NCI05)
How it is made
Produced by high-temperature vapor-phase nitration of propane. This process which employs nitric acid as the nitrating agent, is based on free radical reaction, in which the active species is the NO2 radical. ... Individual nitroalkanes are then obtained as pure products by fractional column distillation.
Preparation: ... Hass et al, US 1967667 (1934 to Purdue Research Foundation)
Regulatory status
Inventories, regulations and trade controls that list this substance
Europe
- EU harmonised classification (CLP Annex VI)Index no: 609-002-00-1
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: 2-Nitropropane, Ref no: 683, Annex ref: II/683
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 2-Nitropropane is traded under.
Derivatives containing only nitro or only nitroso groups
- Belgium34.0%
- United States11.0%
- Germany9.1%
The HS code shown for 2-Nitropropane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 2-Nitropropane, based on the data on this page
What is 2-Nitropropane?
What is the CAS number of 2-Nitropropane?
What is the molecular formula and weight of 2-Nitropropane?
What is 2-Nitropropane used for?
Is 2-Nitropropane hazardous?
What is the HS code of 2-Nitropropane?
Where can I buy 2-Nitropropane?
What is the price of 2-Nitropropane?
Guides for buyers
Practical guides that help when you source, ship or handle 2-Nitropropane
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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