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Cas Database

Name	ISOBUTYRONITRILE	EINECS	201-147-5
CAS No.	78-82-0	Density	0.76
PSA	23.79000	LogP	1.16598
Solubility	AUTOIGNITION	Melting Point	-72 C
Formula	C4H7 N	Boiling Point	107 C
Molecular Weight	69.1063	Flash Point	8 ºC
Transport Information	UN 2284	Appearance	Clear liquid
Safety	1340512	Risk Codes	R11;R23/24/25
Molecular Structure		Hazard Symbols
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	Article Data	113

ISOBUTYRONITRILE Synthetic route

: 78-83-1
2-methyl-propan-1-ol

: 78-82-0
Isobutyronitrile

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
	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

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

: 13063-57-5
isobutyraldehyde dimethylhydrazone

: 78-82-0
Isobutyronitrile

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 5h;	65%

ISOBUTYRONITRILE Chemical Properties

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)

ISOBUTYRONITRILE Uses

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

ISOBUTYRONITRILE 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.

ISOBUTYRONITRILE Consensus Reports

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

ISOBUTYRONITRILE 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 NO_x and CN⁻. See also NITRILES.

ISOBUTYRONITRILE Standards and Recommendations

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

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