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78-82-0

78-82-0 Structure

78-82-0 Structure
IdentificationMore
[Name]

Isobutyronitrile
[CAS]

78-82-0
[Synonyms]

2-METHYLPROPANENITRILE
2-METHYLPROPIONITRILE
ISOBUTYRONITRILE
ISOPROPYL CYANIDE
ISOPROPYL CYNAIDE
1-Cyano-1-methylethane
2-Cyanopropane
2-methyl-propanenitril
2-methyl-propanoicacinitrile
alpha-Methylpropanenitrile
Dimethylacetonitrile
Isobutanenitrile
Isobuttersαurenitril
isobutyricacidnitrile
Isobutyronitril
iso-C3H7CN
Isopropylcyanid
Isopropylkyanid
Isopropylnitrile
Propanenitrile,2-methyl-
[EINECS(EC#)]

201-147-5
[Molecular Formula]

C4H7N
[MDL Number]

MFCD00001873
[Molecular Weight]

69.11
[MOL File]

78-82-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-72 °C (lit.)
[Boiling point ]

107-108 °C (lit.)
[density ]

0.770 g/mL at 20 °C(lit.)
[vapor density ]

2.38 (vs air)
[vapor pressure ]

100 mm Hg ( 54.4 °C)
[refractive index ]

n20/D 1.372(lit.)
[Fp ]

39 °F
[storage temp. ]

Flammables area
[solubility ]

slightly soluble in water and acetone, very soluble in alcohol and ether
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Stability:]

Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
[Water Solubility ]

35 g/L (20 ºC)
[Merck ]

14,5156
[BRN ]

1340512
[Dielectric constant]

23.9(Ambient)
[CAS DataBase Reference]

78-82-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanenitrile, 2-methyl-(78-82-0)
[EPA Substance Registry System]

78-82-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

R11:Highly Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 2284 3/PG 2
[WGK Germany ]

2
[RTECS ]

TZ4900000
[Hazard Note ]

Highly Flammable/Toxic
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29269095
[Hazardous Substances Data]

78-82-0(Hazardous Substances Data)
[Toxicity]

LD50 (mg/kg): 25 i.p. in mice; 200 orally in rats (Zeller); LD50 orally in male mice: 0.3652 mmol/kg (Tanii)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutylene-->2-Methyl-1-propanol-->Isobutyraldehyde-->Zinc sulphate-->HYDROGEN CYANIDE-->Isobutylamine-->Isobutyramide
[Preparation Products]

Isobutyric acid-->L-Valine-->Diazinon-->VALERATE-->2-ISOPROPYL-6-METHYL-4-PYRIMIDINOL-->Ethyl isovalerate-->2-METHYLPROPANIMIDAMIDE HYDROCHLORIDE-->Bladex-->Benzeneacetonitrile, 2-fluoro-alpha,alpha-dimethyl--->2-chloro-2-methylpropiononitrile-->4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
Hazard InformationBack Directory
[General Description]

A clear colorless liquid. Flash point 47°F. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.
[Reactivity Profile]

ISOBUTYRONITRILE(78-82-0) is incompatible with the following: Oxidizers, reducing agents, strong acids & bases .
[Air & Water Reactions]

Highly flammable. Slightly soluble in water.
[Hazard]

Toxic by ingestion, inhalation, and skin absorption.
[Health Hazard]

Poisonous; may be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes. (Non-Specific--Nitriles) Primarily, they are skin and eye irritants. Large doses cause collapse and stop breathing.
[Fire Hazard]

Vapor may explode if ignited in an enclosed area. Toxic oxides of nitrogen are produced during combustion. ISOBUTYRONITRILE is a flammable/combustible material and may be ignited by heat, sparks, or flames. Vapors may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Hazardous polymerization may not occur.
[Chemical Properties]

colourless liquid
[Uses]

Isobutyronitrile can be derived from isobutyraldehyde and is used in organic synthesis and as a gasoline additive.
[Uses]

Solvent.
[Uses]

Used in the synthesis of gasoline additives, as a catalyst in the production of polyethylene.
[Definition]

ChEBI: Isobutyronitrile is an aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups. It has a role as a polar aprotic solvent. It is an aliphatic nitrile and a volatile organic compound.
[Production Methods]

Isobutyronitrile is prepared from isobutyraldehyde by cyanation with ammonia.
[Industrial uses]

Isobutyronitrile is used in organic synthesis, as a catalyst in the polymerization of ethylene and in the petroleum industry as a gasoline additive.
[Metabolism]

Thiocyanate was present in the urine of rats dosed orally with isobutyronitrile.
[Purification Methods]

Shake the nitrile with conc HCl (to remove isonitriles), then with water and aqueous NaHCO3. After a preliminary drying with silica gel or Linde type 4A molecular sieves, it is shaken or stirred with CaH2 until hydrogen evolution ceases, then decanted and distilled from P2O5 (not more than 5g/L, to minimize gel formation) or Drierite (b 101-103o/760mm). Finally it is refluxed with, and slowly distilled from CaH2 (5g/L), taking precautions to exclude moisture. [Beilstein 2 H 294, 2 I 129, 2 II 263, 2 III 655, 2 IV 853.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

isobutyronitrile(78-82-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutyronitrile(78-82-0)MS
Isobutyronitrile(78-82-0)1HNMR
Isobutyronitrile(78-82-0)13CNMR
Isobutyronitrile(78-82-0)IR1
Isobutyronitrile(78-82-0)IR2
Isobutyronitrile(78-82-0)Raman
Isobutyronitrile(78-82-0)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isobutyronitrile,99%(78-82-0)
[Alfa Aesar]

Isobutyronitrile, 99%(78-82-0)
[Sigma Aldrich]

78-82-0(sigmaaldrich)
78-82-0 suppliers list
Tags:78-82-0 Related Product Information
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