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Isotope-labelled compounds

Nitroethane-D5

Also known as 1,1,1,2,2-Pentadeuterio-2-nitroethane, Ethane-d5, nitro- (9CI), Nitroethane-d5, 1-Nitroethane-1,1,2,2,2-d5

CAS 57817-88-6Formula C2H5NO2Molar mass 80.10 g/molEC 804-201-1
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant
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Nitroethane-D5 chemical structure, C2H5NO2, CAS 57817-88-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57817-88-6
Formula
C2H5NO2
Molar mass
80.10 g/mol
Physical form
Liquid
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, closed blue jerry cans in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Nitroethane-D5?

Plain description, key identifiers and synonyms

Nitroethane-D5 is a chemical substance with the molecular formula C2H5NO2 and a molar mass of 80.10 g/mol. Its CAS registry number is 57817-88-6. The IUPAC name is 1,1,1,2,2-pentadeuterio-2-nitroethane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1,1,2,2-pentadeuterio-2-nitroethane
CAS number
57817-88-6
EC number
804-201-1
Molecular formula
C2H5NO2
InChIKey
MCSAJNNLRCFZED-ZBJDZAJPSA-N
InChI
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3/i1D3,2D2
Canonical SMILES
CC[N+](=O)[O-]
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])[N+](=O)[O-]

Synonyms

  • 1,1,1,2,2-Pentadeuterio-2-nitroethane
  • Ethane-d5, nitro- (9CI), Nitroethane-d5, 1-Nitroethane-1,1,2,2,2-d5

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

Physical form
Liquidexp.

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
80.10 g/molcalc.
Exact mass
80.0634 Dacalc.
LogP (octanol/water)
0.28calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
5calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H302 + H332Harmful if swallowed. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H332Harmful if inhaled.
Precautionary statements (19)
  • 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.
  • P330Rinse mouth.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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 aid

Nitroethane-D5 suppliers

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Nitroethane-D5 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

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 Nitroethane-D5 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitroethane-D5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitroethane-D5, based on the data on this page

What is Nitroethane-D5?

Nitroethane-D5 is a chemical substance with the molecular formula C2H5NO2 and a molar mass of 80.10 g/mol. Its CAS registry number is 57817-88-6. The IUPAC name is 1,1,1,2,2-pentadeuterio-2-nitroethane.

What is the CAS number of Nitroethane-D5?

The CAS registry number of Nitroethane-D5 is 57817-88-6.

What is the molecular formula and weight of Nitroethane-D5?

The molecular formula of Nitroethane-D5 is C2H5NO2 and its molar mass is 80.10 g/mol.

What is Nitroethane-D5 used for?

Known uses and roles of Nitroethane-D5 include isotope-labelled compounds in research and laboratory.

Is Nitroethane-D5 hazardous?

Nitroethane-D5 carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, harmful if swallowed. harmful if inhaled, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitroethane-D5?

Nitroethane-D5 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitroethane-D5?

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What is the price of Nitroethane-D5?

Suppliers quote Nitroethane-D5 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Nitroethane-D5

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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