CAS No.7321-55-3,DIMETHYLMALONONITRILE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7321-55-3
Name:	DIMETHYLMALONONITRILE
Article Data:	11

Formula:	C₅H₆N₂
Molecular Weight:	94.116
Synonyms:	Malononitrile,dimethyl- (6CI,7CI,8CI);Propanedinitrile, dimethyl- (9CI);2,2-Dicyanopropane;Dimethylmalononitrile;Dimethylpropanedinitrile;NSC 86109;2,2-Dicyanopropane;Dimethylmalononitrile;Malononitrile, dimethyl-;propanedinitrile, 2,2-dimethyl-;
Density:	0.961 g/cm³
Melting Point:	31-33 °C(lit.)
Boiling Point:	169.5 °C at 760 mmHg
Flash Point:	77.8 °C
Hazard Symbols:	F; T
Risk Codes:	11-23/24/25-36/37/38
Safety:	16-26-36/37/39-45
PSA:	47.58000
LogP:	1.05976

Synthetic route

: 109-77-3
malononitrile

: 74-88-4
methyl iodide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With potassium tert-butylate; tetrabutylammomium bromide for 2h; Ambient temperature;	76%
With potassium carbonate In acetonitrile at 20℃; for 16h; Inert atmosphere;	52%
at 100℃; aus Natriummalonnitril;
With sodium hydride In dimethyl sulfoxide

: 74-83-9
methyl bromide

: 109-77-3
malononitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Stage #1: malononitrile With lithium hydroxide In tetrahydrofuran at 5 - 20℃; for 3h; Autoclave; Stage #2: methyl bromide In tetrahydrofuran at 0 - 20℃; for 8h; Autoclave;	46.5%

: 7505-93-3
2-cyano-2-methylpropanamide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With phosphorus pentaoxide at 170℃;

: 5362-78-7
dimethylsulfonium dicyanomethylide

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
With triphenylphosphine

: 109-77-3
malononitrile

: 74-88-4
methyl iodide

A: 7321-55-3
2,2-dimethylmalononitrile

B methylisonitrile: methylisonitrile

Conditions

Conditions	Yield
at -10℃; aus Silbermalonnitril nach Beendigung der ersten heftigen Reaktion bei 50grad;

...Expand

: 74-88-4
methyl iodide

disilver-salt of malonic acid dinitrile: disilver-salt of malonic acid dinitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 74-88-4
methyl iodide

disodium-salt of malonic acid dinitrile: disodium-salt of malonic acid dinitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 19295-57-9
3-hydroxy-2,2-dimethylpropionitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl dichloride / dimethyl sulfoxide; dichloromethane / 0.42 h / -78 °C 1.2: -78 - 25 °C 2.1: methanol; water; hydrogenchloride / 1 h / 55 °C 3.1: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: 19295-56-8
2,2-dimethyl-3-oxopropanenitrile

: 7321-55-3
2,2-dimethylmalononitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; water; hydrogenchloride / 1 h / 55 °C 2: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C View Scheme

: 1401327-14-7
2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)uridine

A: 50-00-0
formaldehyd

B: 7321-55-3
2,2-dimethylmalononitrile

C: 58-96-8
uridine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In dimethyl sulfoxide at 25℃; for 0.25h;

...Expand

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Specification

The Propanedinitrile,2,2-dimethyl-, with the CAS registry number 7321-55-3, has the systematic name of dimethylpropanedinitrile. It belongs to the following product categories: C1 to C5; Cyanides/Nitriles; Nitrogen Compounds. And the molecular formula of the chemical is C₅H₆N₂.

The characteristics of Propanedinitrile,2,2-dimethyl- are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.48; (8)ACD/KOC (pH 7.4): 30.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 25 cm³; (15)Molar Volume: 97.8 cm³; (16)Polarizability: 9.91×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 77.8 °C; (20)Enthalpy of Vaporization: 40.59 kJ/mol; (21)Boiling Point: 169.5 °C at 760 mmHg; (22)Vapour Pressure: 1.54 mmHg at 25°C.

Preparation of Propanedinitrile,2,2-dimethyl-: This chemical can be prepared by malononitrile and iodomethane. The reaction will need reagent potassium tert-butoxide, and the catalyst tetrabutylammonium bromide. The reaction time is 2 hours with ambient temperature, and the yield is about 76%.

Uses of Propanedinitrile,2,2-dimethyl-: It can react with benzene-1,2-diamine; dihydrochloride to produce 2,2-bis(benzimidazole-2-yl)propane. And the yield is about 70%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin, and it is also toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CC(C#N)(C)C
(2)InChI: InChI=1/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
(3)InChIKey: BCMJJXWXMZYZKN-UHFFFAOYAH