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78-82-0

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Basic Information
CAS No.: 78-82-0
Name: Isobutyronitrile
Article Data: 113
Molecular Structure:
Molecular Structure of 78-82-0 (Isobutyronitrile)
Formula: C4H7 N
Molecular Weight: 69.1063
Synonyms: Isobutyronitrile(6CI,8CI); 1-Cyano-1-methylethane; 2-Cyanopropane; 2-Methylpropanenitrile;2-Methylpropionitrile; Dimethylacetonitrile; Isobutanenitrile; Isopropylcyanide; Isopropyl nitrile; NSC 60536; a-Methylpropanenitrile; a-Methylpropionitrile
EINECS: 201-147-5
Density: 0.76
Melting Point: -72 C
Boiling Point: 107 C
Flash Point: 8 ºC
Solubility: AUTOIGNITION
Appearance: Clear liquid
Hazard Symbols:
Risk Codes: R11;R23/24/25   
Safety: 1340512
Transport Information: UN 2284
PSA: 23.79000
LogP: 1.16598
Related products
Synthetic route
78-83-1

2-methyl-propan-1-ol

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃;95.8%
With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C);;95.8%
With ammonia; zinc(II) oxide at 19.9℃; Mechanism;
78-84-2

isobutyraldehyde

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 100℃;91%
Stage #1: isobutyraldehyde With hydroxylamine hydrochloride; sodium hydroxide In water at 70℃;
Stage #2: With copper diacetate; hydrazine In acetonitrile at 90℃; for 0.5h;		80%
With ammonium hydroxide; periodic acid; potassium iodide at 60℃; for 65745h; Green chemistry; Sealed tube;78%
72-18-4

L-valine

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With ammonium bromide In methanol; water Electrochemical reaction;91%
With perchloric acid; N,N-Dichlorobenzenesulfonamide In methanol; water at 29.9℃; Rate constant; Kinetics; Thermodynamic data; other amino acids; var. temp. and conditions; ΔH(excit.), ΔS(excit.), ΔG(excit.), Ea; equilibrium constant;
With perchloric acid; N,N-Dichlorobenzenesulfonamide; sodium perchlorate In water; acetic acid at 39.9℃; Rate constant; Kinetics; Thermodynamic data; var. temp. and conditions; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.);
78-67-1

2,2'-azobis(isobutyronitrile)

{[(difluoromethyl)selanyl]methyl}benzene

104-87-0

4-methyl-benzaldehyde

A

78-82-0

Isobutyronitrile

B

3333-52-6

2,2,3,3-tetramethylsuccinonitrile

C

Se-(difluoromethyl) 4-methylbenzoselenoate

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 50℃; for 24h; Inert atmosphere;A n/a
B n/a
C 88%
...Expand
151-00-8

isobutyraldehyde oxime

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With S,S-dimethyl dithiocarbonate; triethylamine In 1,4-dioxane at 90℃;85%
With ethyl cyanoformate; triethylamine In acetonitrile Ambient temperature;75%
With phenylacetaldoxime dehydratase(Bacillus OxB-1 expres.E.coli) In water at 30℃; for 17h; pH=8.0;
563-83-7

ISOPROPYLAMIDE

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With potassium hydroxide; p-t-butylcalix<6>arene derivative In dichloromethane at 40℃; for 4h;84%
With 3 A molecular sieve at 90 - 500℃; under 0.01 Torr; for 0.25h; Pyrolysis;59%
With phosphorus pentoxide durch Destillation;
78-81-9

isobutylamine

A

78-82-0

Isobutyronitrile

B

6898-82-4

N-isobutylideneisobutylamine

Conditions
ConditionsYield
With oxygen In para-xylene at 110℃; for 2h;A 8%
B 77%
52548-05-7

1-(Dichloroamino)-2-methylpropane

A

78-82-0

Isobutyronitrile

B

115-11-7

isobutene

Conditions
ConditionsYield
A 75%
B 15%
2564-83-2, 45842-10-2

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

78-67-1

2,2'-azobis(isobutyronitrile)

104-88-1

4-chlorobenzaldehyde

A

78-82-0

Isobutyronitrile

B

1416975-71-7

2,2,6,6-tetramethylpiperidin-1-yl 4-chlorobenzoate

Conditions
ConditionsYield
With S-(trifluoromethyl) benzenesulfonothioate In 1,2-dichloro-ethane at 80℃; for 16h; Irradiation;A 73%
B n/a
...Expand
13063-57-5

isobutyraldehyde dimethylhydrazone

78-82-0

Isobutyronitrile

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 5h;65%
Raw Materials
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126-98-7
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603-35-0
143-33-9
3668-74-4
75-26-3
Downstream Products
499-75-2
72-18-4
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5251-70-7
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Chemistry

Name:Isobutyronitrile
Synonyms:2-Methylpropionitrile; Isopropyl cyanide
Molecular Structure:    
Molecular Formula:C4H7N
Molecular Weight:69.11
EINECS:201-147-5
Melting point:-72 oC
Boiling point:107-108 oC
Flash point:8 oC
Density:0.76
Refractive index:1.372-1.374
Water solubility:35 g/L (20 oC)

Uses

ISOBUTYRONITRILE 's used as pesticides and organic synthesis, etc.

Toxicity Data With Reference

1.   

skn-rbt 380 mg open MLD

   UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
2.   

orl-rat LD50:102 mg/kg

   UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
3.   

ihl-rat LCLo:1000 ppm/4H

   AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
4.   

orl-mus LD50:25 mg/kg

   ARTODN    Archives of Toxicology. 55 (1984),47.
5.   

skn-rbt LD50:310 mg/kg

   AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
6.   

scu-rbt LDLo:9 mg/kg

   AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.
7.   

scu-frg LDLo:4800 mg/kg

   AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List. EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Safety Profile

A poison by ingestion, skin contact, and subcutaneous routes. Mildly toxic by inhalation. A skin irritant. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.

Standards and Recommendations

NIOSH REL: (Nitriles) TWA 22 mg/m3
DOT Classification:  3; Label: Flammable Liquid, Poison