1,1-Dinitroethane
Also known as Ethane, 1,1-dinitro-, 1,1-dinitro-ethane, Dinitroethane
Key facts
What buyers check first
- CAS number
- 600-40-8
- Formula
- C2H4N2O4
- Molar mass
- 120.06 g/mol
- EC number
- 684-723-2
- HS code
- 290420
- Category
- Nitriles, nitro and azo compounds
What is 1,1-Dinitroethane?
Plain description, key identifiers and synonyms
1,1-Dinitroethane is a chemical substance with the molecular formula C2H4N2O4 and a molar mass of 120.06 g/mol. Its CAS registry number is 600-40-8.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1,1-dinitroethane
- CAS number
- 600-40-8 CAS number cross-checked
- EC number
- 684-723-2
- Molecular formula
- C2H4N2O4
- UNII
- 5CTY3X4E7X
- InChIKey
- LKKHEZBRRGJBGH-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H4N2O4/c1-2(3(5)6)4(7)8/h2H,1H3
- SMILES (canonical and isomeric)
- CC([N+](=O)[O-])[N+](=O)[O-]
Synonyms
- Ethane, 1,1-dinitro-
- 1,1-dinitro-ethane
- Dinitroethane
- 1,1-Dinitroethane (dry) [Forbidden]
- 1,1-Dinitroethane (dry)
- 4-01-00-00174 (Beilstein Handbook Reference)
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
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
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 | 120.06 g/molcalc.Computed value |
|---|---|
| Exact mass | 120.0171 Dacalc.Computed value |
| LogP (octanol/water) | -0.11calc.Computed value |
| Topological polar surface area | 86.28 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 8calc.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
- H201Explosive, mass explosion hazard.
- H301Toxic if swallowed.
- H318Causes serious eye damage.
Precautionary statements (19)
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P230Keep wetted with water or another suitable desensitiser.
- P240Ground and bond container and receiving equipment.
- P250Do not subject to grinding, shock or friction.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P370 + P380In case of fire: Evacuate area.
- P372Explosion risk.
- P373Do not fight fire when fire reaches explosives.
- P401Store in accordance with local regulations.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
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 aid1,1-Dinitroethane suppliers
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1,1-Dinitroethane price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 1,1-Dinitroethane is traded under.
Derivatives containing only nitro or only nitroso groups
- Belgium34.0%
- United States11.0%
- Germany9.1%
The HS code shown for 1,1-Dinitroethane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 1,1-Dinitroethane, based on the data on this page
What is 1,1-Dinitroethane?
What is the CAS number of 1,1-Dinitroethane?
What is the molecular formula and weight of 1,1-Dinitroethane?
What is 1,1-Dinitroethane used for?
Is 1,1-Dinitroethane hazardous?
What is the HS code of 1,1-Dinitroethane?
Where can I buy 1,1-Dinitroethane?
What is the price of 1,1-Dinitroethane?
Guides for buyers
Practical guides that help when you source, ship or handle 1,1-Dinitroethane
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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