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Isotope-labelled compounds

Acrylonitrile-2-d

Also known as 2-deuterioprop-2-enenitrile, Acrylonitrile-2-d1, deuteroacrylonitrile

CAS 4635-82-9Formula C3H3NMolar mass 54.07 g/molEC 687-199-3
GHS signal word: Danger. Pictograms: Flammable, Corrosive, Acute toxicity (severe), Harmful or irritant
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Acrylonitrile-2-d chemical structure, C3H3N, CAS 4635-82-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4635-82-9
Formula
C3H3N
Molar mass
54.07 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 Acrylonitrile-2-d?

Plain description, key identifiers and synonyms

Acrylonitrile-2-d is a chemical substance with the molecular formula C3H3N and a molar mass of 54.07 g/mol. Its CAS registry number is 4635-82-9. The IUPAC name is 2-deuterioprop-2-enenitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-deuterioprop-2-enenitrile
CAS number
4635-82-9 CAS number cross-checked
EC number
687-199-3
Molecular formula
C3H3N
MDL number
MFCD01074030
InChIKey
NLHHRLWOUZZQLW-VMNATFBRSA-N
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i2D
Canonical SMILES
C=CC#N
Isomeric SMILES
[2H]C(=C)C#N

Synonyms

  • 2-deuterioprop-2-enenitrile
  • Acrylonitrile-2-d1
  • deuteroacrylonitrile
  • (2-~2~H)Prop-2-enenitrile
  • Acrylonitrile-2-d1 (stabilized with hydroquinone)
  • Acrylonitrile-2-d, >=98 atom % D, >=99% (CP), contains hydroquinone as stabilizer

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
54.07 g/molcalc.
Exact mass
54.0328 Dacalc.
LogP (octanol/water)
0.7calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
4calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0calc.
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
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H331Toxic if inhaled.
  • H335May cause respiratory irritation.
  • H350May cause cancer.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (37)
  • 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.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • 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.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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 aid

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Acrylonitrile-2-d price

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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 Acrylonitrile-2-d 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 Acrylonitrile-2-d is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acrylonitrile-2-d, based on the data on this page

What is Acrylonitrile-2-d?

Acrylonitrile-2-d is a chemical substance with the molecular formula C3H3N and a molar mass of 54.07 g/mol. Its CAS registry number is 4635-82-9. The IUPAC name is 2-deuterioprop-2-enenitrile.

What is the CAS number of Acrylonitrile-2-d?

The CAS registry number of Acrylonitrile-2-d is 4635-82-9.

What is the molecular formula and weight of Acrylonitrile-2-d?

The molecular formula of Acrylonitrile-2-d is C3H3N and its molar mass is 54.07 g/mol.

What is Acrylonitrile-2-d used for?

Known uses and roles of Acrylonitrile-2-d include isotope-labelled compounds in research and laboratory.

Is Acrylonitrile-2-d hazardous?

Acrylonitrile-2-d carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, toxic if swallowed, toxic in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acrylonitrile-2-d?

Acrylonitrile-2-d 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 Acrylonitrile-2-d?

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What is the price of Acrylonitrile-2-d?

Suppliers quote Acrylonitrile-2-d 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

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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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