ISO-BUTYRONITRILE

iso-Butyronitrile is a branched aliphatic nitrile commonly known as isobutyronitrile, isopropyl cyanide, or 2-methylpropanenitrile.
iso-Butyronitrile is a volatile, highly flammable, colorless liquid with an almond-like odor.
iso-Butyronitrile is used primarily as a chemical-synthesis intermediate, specialty solvent, laboratory reagent, and starting material for selected pesticide and organic-chemical intermediates.

CAS Number: 78-82-0
EC Number: 201-147-5
Molecular Formula: C4H7N
Molecular Weight: 69.11 g/mol

Synonyms: iso-Butyronitrile, Isobutyronitrile, Isobutanenitrile, 2-Methylpropanenitrile, 2-Methylpropionitrile, 2-Methylpropanonitrile, Propanenitrile, 2-methyl-, Isopropyl Cyanide, Isopropylcyanide, Isopropylnitrile, 2-Cyanopropane, 1-Cyano-1-methylethane, α-Methylpropanenitrile, Alpha-Methylpropanenitrile, Dimethylacetonitrile, Isobutyric Acid Nitrile, Isobutanoic Acid Nitrile, Isobutyronitril, Isopropylkyanid, iso-C3H7CN, (CH3)2CHCN, IBN, NSC 60536, RTECS TZ4900000, UN 2284, CAS 78-82-0, EC 201-147-5, PubChem CID 6559, UNII 699AWF2WV2, Branched Aliphatic Nitrile, Organic Cyanide Compound, Pesticide Intermediate, Organic-Synthesis Intermediate, Laboratory Synthesis Reagent

APPLICATIONS

iso-Butyronitrile is used as an intermediate in organic chemical synthesis.
iso-Butyronitrile is used to introduce a branched nitrile-containing carbon structure into suitable intermediates.
iso-Butyronitrile is used in reactions where the nitrile group is retained or converted into another functional group.
iso-Butyronitrile is used only after reaction compatibility, heat generation, containment, and toxic-vapor control have been evaluated.

iso-Butyronitrile is used as an intermediate in the manufacture of selected insecticide and pesticide chemicals.
iso-Butyronitrile is historically associated with synthetic routes for compounds such as diazinon and related intermediates.
iso-Butyronitrile is used as a manufacturing intermediate rather than as a pesticidal active ingredient.
iso-Butyronitrile is used only where the resulting substance and manufacturing operation meet current pesticide and chemical regulations.

iso-Butyronitrile is used as a specialty industrial solvent.
iso-Butyronitrile is used to dissolve compatible organic reactants and intermediates in controlled synthesis processes.
iso-Butyronitrile is used where its low molecular weight and nitrile polarity provide useful solvency.
iso-Butyronitrile is used only in closed or effectively ventilated systems because it is volatile, highly flammable, and acutely toxic.

iso-Butyronitrile has been used as a catalyst or process component in selected ethylene-polymerization chemistry.
iso-Butyronitrile is used only within a specifically engineered catalytic or polymerization process.
iso-Butyronitrile is not treated as a general-purpose polymerization initiator such as azobisisobutyronitrile.
iso-Butyronitrile polymer-process use requires control of monomer pressure, ignition sources, toxic exposure, and waste streams.

iso-Butyronitrile has historical association with gasoline-additive applications.
iso-Butyronitrile is not considered a routine modern automotive-fuel ingredient.
iso-Butyronitrile fuel-related use requires confirmation under current fuel-quality, emissions, and chemical-control legislation.
iso-Butyronitrile should not be added experimentally to commercial gasoline or engine fuel.

iso-Butyronitrile is used as a laboratory synthesis reagent.
iso-Butyronitrile is used in research involving aliphatic nitriles and branched carbon frameworks.
iso-Butyronitrile is used in reaction-development, impurity-identification, and intermediate-characterization studies.
iso-Butyronitrile laboratory use requires a functioning fume hood, minimal quantities, ignition control, and emergency procedures for cyanide-type toxicity.

iso-Butyronitrile is used as an analytical reference material.
iso-Butyronitrile is used in gas-chromatography, mass-spectrometry, and spectroscopic method development.
iso-Butyronitrile is used to identify and quantify volatile nitriles in workplace, process, environmental, and research samples.
iso-Butyronitrile reference solutions require traceable preparation, compatible sealed containers, and controls for volatility and acute toxicity.

iso-Butyronitrile is used in occupational and emergency-response research.
iso-Butyronitrile is used to validate workplace-air sampling methods for volatile nitriles.
iso-Butyronitrile is evaluated in acute-exposure planning because it is metabolized to cyanide and can cause severe neurological and respiratory effects.
iso-Butyronitrile is used according to the current specification, certificate of analysis, safety data sheet, and legal transport classification.

DESCRIPTION

iso-Butyronitrile is the branched-chain structural isomer of normal butyronitrile.
iso-Butyronitrile contains one nitrile group attached to an isopropyl carbon framework.
iso-Butyronitrile has molecular formula C4H7N, molecular weight 69.11 g/mol, CAS number 78-82-0, and EC number 201-147-5.
iso-Butyronitrile has the condensed structural formula (CH3)2CHCN and the InChIKey LRDFRRGEGBBSRN-UHFFFAOYSA-N.

iso-Butyronitrile is a colorless liquid with an almond-like odor.
iso-Butyronitrile has a boiling point near 103.9°C, a freezing point near −71.7°C, and a representative specific gravity near 0.76.
iso-Butyronitrile is slightly soluble in water and has a flash point near 8°C.
iso-Butyronitrile is therefore classified by NIOSH as a Class IB flammable liquid.

iso-Butyronitrile can enter the body through inhalation, skin absorption, ingestion, and eye or skin contact.
iso-Butyronitrile is metabolized in the body to cyanide and can cause headache, dizziness, weakness, confusion, convulsions, breathing difficulty, nausea, vomiting, and cardiovascular effects.
iso-Butyronitrile can produce delayed serious symptoms after an apparently limited exposure.
iso-Butyronitrile has a NIOSH recommended eight-hour exposure limit of 8 ppm, equivalent to approximately 22 mg/m³.

iso-Butyronitrile is highly flammable and its vapors can travel to an ignition source.
iso-Butyronitrile is incompatible with oxidizing agents, reducing agents, strong acids, and strong bases.
iso-Butyronitrile is transported as UN 2284, with flammable-liquid and toxic subsidiary hazards under the cited European dangerous-goods listing.
iso-Butyronitrile must be stored and handled using the exact product SDS because purity, additives, package size, and jurisdiction can affect classification and controls.

PROPERTIES

Chemical Name: Isobutyronitrile
Product Name: iso-Butyronitrile
IUPAC Name: 2-Methylpropanenitrile
Alternative Name: Isopropyl Cyanide
Chemical Family: Aliphatic nitriles
Functional Class: Organic nitrile and chemical intermediate
CAS Number: 78-82-0
EC Number: 201-147-5
PubChem CID: 6559
UNII: 699AWF2WV2
RTECS Number: TZ4900000
InChIKey: LRDFRRGEGBBSRN-UHFFFAOYSA-N
Molecular Formula: C4H7N
Condensed Structural Formula: (CH3)2CHCN
Molecular Weight: 69.11 g/mol
Stereochemistry: Achiral
Physical State: Liquid
Appearance: Colorless
Odor: Almond-like
Representative Boiling Point: Approximately 103.9°C
Representative Freezing Point: Approximately −71.7°C
Representative Specific Gravity: Approximately 0.76
Water Solubility: Slight
Vapor Pressure: Significant; approximately 100 mmHg at 54°C in the NIOSH entry
Representative Flash Point: Approximately 8°C
Flammability Classification: Highly flammable liquid
NIOSH Flammable-Liquid Class: Class IB
Primary Industrial Functions: Organic-synthesis intermediate, pesticide intermediate, specialty solvent, and laboratory reagent
Primary Analytical Functions: Chromatography, spectroscopy, workplace-air monitoring, and reference-standard use
Metabolic Hazard: Can release cyanide in the body
Primary Exposure Routes: Inhalation, skin absorption, ingestion, and skin or eye contact
Primary Target Organs: Eyes, skin, respiratory system, central nervous system, and cardiovascular system
Potential Symptoms: Irritation, headache, dizziness, weakness, confusion, convulsions, breathing difficulty, abdominal pain, nausea, and vomiting
NIOSH REL: 8 ppm or approximately 22 mg/m³ as an eight-hour TWA
Federal OSHA PEL: No substance-specific PEL listed in the cited NIOSH entry
Current EPA AEGL-2 Values: 2.5 ppm for 10 and 30 minutes, 2.0 ppm for 60 minutes, 1.3 ppm for four hours, and 0.83 ppm for eight hours
Current EPA AEGL-3 Values: 7.6 ppm for 10 and 30 minutes, 6.1 ppm for 60 minutes, 3.8 ppm for four hours, and 2.5 ppm for eight hours
Representative Supplier GHS Classification: Flammable Liquid Category 2
Representative Supplier Acute Oral Toxicity: Category 2
Representative Supplier Acute Dermal Toxicity: Category 2
Representative Supplier Acute Inhalation Toxicity: Category 2
Representative Supplier Hazard Statements: H225, H300, H310, H330, and H402
Incompatible Materials: Oxidizers, reducing agents, strong acids, and strong bases
UN Number: UN 2284
Transport Class: Class 3
Subsidiary Transport Hazard: Class 6.1
Packing Group: II
Storage Conditions: Cool, secure, well-ventilated flammable-liquid storage
Storage Protection: Protect from heat, sparks, flame, static discharge, oxidizers, acids, bases, and incompatible materials
Environmental Precaution: Prevent uncontrolled release into drains, soil, and surface water
Shelf Life: Purity, inhibitor status, packaging, temperature, and supplier dependent
Regulatory Suitability: Manufacture, use, transport, workplace exposure, and disposal are jurisdiction dependent

The identity and core physical properties are supported by NIST and NIOSH; the acute guideline values were updated by the EPA in June 2026.

FIRST AID

Inhalation:
Immediately move the affected person to fresh air without exposing rescuers.
Keep the person at rest and obtain emergency medical attention because cyanide-type toxicity may develop.
Provide respiratory support through trained personnel if breathing is impaired.

Skin Contact:
Immediately remove contaminated clothing, footwear, and accessories.
Wash the affected skin thoroughly with soap and water.
Obtain urgent medical evaluation because the substance can be absorbed through the skin.

Eye Contact:
Immediately irrigate the eyes continuously with clean water for at least 15 minutes.
Remove contact lenses when this can be done easily without delaying irrigation.
Obtain prompt medical attention.

Ingestion:
Rinse the mouth and do not induce vomiting unless directed by medical professionals.
Do not give anything by mouth to an unconscious or convulsing person.
Contact emergency medical services or a poison center immediately.

Note to Physicians:
Treat as possible acute nitrile and cyanide-generating exposure.
Provide supportive respiratory and cardiovascular care and monitor neurological status.
Specific antidotal treatment should be determined and administered only by qualified medical personnel.

HANDLING AND STORAGE

Handling:
Restrict handling to trained personnel.
Use closed transfer or a properly functioning chemical fume hood.
Prevent inhalation, ingestion, skin absorption, and eye contact.

Fire and Static Control:
Keep away from heat, sparks, open flames, hot surfaces, and other ignition sources.
Ground and bond containers and transfer equipment.
Use explosion-resistant electrical and ventilation equipment where vapors may accumulate.

Engineering Controls:
Provide effective local exhaust ventilation at sampling, transfer, reaction, and waste-handling points.
Use sealed pumps, lines, and connections where industrial quantities are handled.
Prevent vapor accumulation in low or poorly ventilated spaces.

Personal Protection:
Wear verified chemical-resistant gloves, protective clothing, and tightly fitting chemical goggles.
Use a face shield where splashing is possible.
Select respiratory protection through a formal occupational respiratory-protection program.

Storage:
Store in an approved flammable-liquid cabinet or secure flammable-material room.
Keep containers tightly closed in a cool, dry, and well-ventilated area.
Separate the product from oxidizers, reducing agents, strong acids, and strong bases.

Spill and Leak Procedures:
Evacuate unnecessary personnel and eliminate ignition sources from a safe location.
Approach only with appropriate respiratory and chemical protection.
Stop the leak only when this can be done safely and contain the liquid with compatible inert absorbent.

Environmental Precautions:
Prevent entry into drains, sewers, soil, groundwater, and surface water.
Place recovered material and contaminated absorbent in compatible sealed hazardous-waste containers.
Notify the appropriate authorities when reporting thresholds or permit conditions apply.

Fire Response:
Use dry chemical, carbon dioxide, alcohol-resistant foam, or water fog according to the product SDS and surrounding conditions.
Do not use a direct water jet to spread burning liquid.
Wear positive-pressure self-contained breathing apparatus because combustion can generate toxic nitrogen- and cyanide-containing fumes.

Handling Precautions:
Do not use odor as the sole warning of exposure.
Maintain immediate access to eyewash, emergency washing, spill-control, and medical-response facilities.
Follow the current certificate of analysis, regional SDS, flammable-liquid rules, toxic-substance controls, and dangerous-goods regulations.