2-methylprop-2-enenitrile

C4H5N

CAS126-98-7
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
126-98-7
EC Number
204-817-5
UN Number
3079
Index Number
608-010-00-2
PubChem CID
31368

Physical-chemical properties

Molecular Formula
C4H5N
Molar Mass
67.09 g/mol
IUPAC Name
2-methylprop-2-enenitrile

Chemical Identifiers

InChI
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InChI Key
GYCMBHHDWRMZGG-UHFFFAOYSA-N

Overview

2-methylprop-2-enenitrile (CAS 126-98-7) is an unsaturated nitrile compound with high reactivity and significant toxicity hazards. 2-methylprop-2-enenitrile, also known by its IUPAC designation, represents a crucial intermediate in organic synthesis and polymer chemistry. This volatile organic compound with molecular formula C4H5N exhibits the characteristic properties of both alkene and nitrile functional groups, making it particularly valuable in industrial applications requiring controlled polymerization reactions. The substance presents significant safety considerations due to its classification under multiple hazard categories. As a Category 2 flammable liquid, it requires careful handling and storage away from ignition sources. The compound's acute toxicity classification (Category 3) across multiple exposure routes - inhalation, dermal, and oral contact - necessitates comprehensive safety protocols in workplace environments. Additionally, its skin sensitization properties require appropriate personal protective equipment during handling operations. From a chemical perspective, 2-methylprop-2-enenitrile demonstrates enhanced stability compared to simpler unsaturated compounds like prop-2-enal, while maintaining reactive versatility similar to other functionalized alkenes such as prop-2-en-1-amine. The presence of both the methyl substituent and nitrile group provides unique reactivity patterns essential for specialized synthetic applications. Primary industrial applications include its use as a monomer in acrylic polymer production, where it contributes to enhanced material properties including improved thermal stability and chemical resistance. The compound also serves as a key building block in pharmaceutical intermediate synthesis and specialty chemical manufacturing, particularly in processes requiring controlled radical polymerization. OYSI maintains reliable supply capabilities for 2-methylprop-2-enenitrile, supporting European chemical manufacturers with consistent product quality and comprehensive technical documentation to ensure safe handling and optimal application performance.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Skin Sens. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H317

May cause an allergic skin reaction.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3079
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameMethacrylnitril, stabilisiert
Marine PollutantNo

Frequently Asked Questions

What is 2-methylprop-2-enenitrile?

2-methylprop-2-enenitrile is an organic nitrile compound with the molecular formula C4H5N and CAS number 126-98-7. It has a molecular weight of 67.09 g/mol and belongs to the family of unsaturated nitriles containing both a cyano group (-CN) and a double bond. This compound is classified as a flammable liquid and toxic substance, requiring careful handling due to its hazardous properties including acute toxicity and skin sensitization potential.

What are the physicochemical properties of 2-methylprop-2-enenitrile?

2-methylprop-2-enenitrile is a liquid at room temperature with a molecular weight of 67.09 g/mol and formula C4H5N. As an unsaturated nitrile, it contains reactive functional groups that influence its chemical behavior. The compound exhibits flammable properties (Flam. Liq. 2 classification) and has characteristic nitrile chemical reactivity. Its low molecular weight suggests high volatility, requiring appropriate ventilation during handling and storage operations.

What is 2-methylprop-2-enenitrile used for?

2-methylprop-2-enenitrile serves as an important chemical intermediate in organic synthesis and polymer chemistry. It is commonly used in the production of specialty polymers, resins, and as a building block for pharmaceutical intermediates. The compound's reactive nitrile and alkene functional groups make it valuable for chemical modifications and polymerization reactions. Its applications span across fine chemicals manufacturing, research laboratories, and specialized industrial processes requiring precise chemical transformations.

How to handle 2-methylprop-2-enenitrile safely?

2-methylprop-2-enenitrile requires strict safety measures due to its acute toxicity and flammable nature. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in poorly ventilated areas. Work in well-ventilated spaces or under fume hoods, avoid ignition sources, and prevent skin contact due to sensitization risk (Skin Sens. 1). Ground all equipment to prevent static discharge and have emergency procedures ready for spills or exposure incidents.

How to store 2-methylprop-2-enenitrile correctly?

2-methylprop-2-enenitrile must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and incompatible materials. Use appropriate containers resistant to nitrile compounds and ensure proper grounding to prevent static buildup. Store separately from oxidizing agents, strong acids, and bases due to potential reactive incompatibilities. Maintain temperatures below recommended limits and implement proper inventory rotation to prevent degradation over time.

What to do in case of contact with 2-methylprop-2-enenitrile?

Immediate action is required for any contact with 2-methylprop-2-enenitrile due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for 15 minutes and remove contact lenses if easily removable. Seek immediate medical attention for all exposure routes and provide safety data sheet to medical personnel.

How to dispose of 2-methylprop-2-enenitrile properly?

2-methylprop-2-enenitrile disposal must comply with local and European waste regulations due to its toxic and flammable classification. The compound cannot be disposed of down drains or with regular waste. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves incineration at specialized facilities. Containers must be properly labeled, and waste manifest documentation is required. Always consult local environmental authorities for specific disposal requirements and approved disposal facilities.

How to transport 2-methylprop-2-enenitrile?

2-methylprop-2-enenitrile is classified under ADR as Class 6.1 (toxic substances), Packing Group I, indicating high toxicity requiring stringent transport conditions. Specialized packaging, labeling with appropriate hazard diamonds (GHS02, GHS06), and transport documentation are mandatory. Only trained personnel and approved carriers can handle shipments. Vehicles must carry appropriate emergency equipment, and drivers need hazardous materials certification. Proper segregation from incompatible substances during transport is essential.

Is 2-methylprop-2-enenitrile subject to specific regulations?

2-methylprop-2-enenitrile falls under European REACH and CLP regulations requiring registration, classification, and labeling as 'Danger' with multiple hazard classes. While not currently listed as SVHC, its Acute Tox. 3 and Skin Sens. 1 classifications mandate strict compliance with occupational exposure limits and safety measures. Users must maintain safety data sheets, implement risk assessments, and follow workplace exposure guidelines. Import/export may require additional documentation depending on quantities and applications.

Where to buy 2-methylprop-2-enenitrile in Europe?

2-methylprop-2-enenitrile is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides compliant packaging, proper documentation, and technical support for this regulated substance. As a professional chemical distributor, OYSI ensures full regulatory compliance including REACH registration, proper ADR transport classification, and comprehensive safety data sheets for safe handling and use in various industrial applications.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.