2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile

Product Name: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile
CAS No.: 23051-44-7
Chemical Name: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile
Synonyms: (3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA&;3-dicyanomethylene-1,5,5-trimethylcyclohexene;2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile;(3,5,5-trimethyl-2-cyclohexen-1-ylidene)propanedinitrile;(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-propanedinitril;2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile;Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-
CBNumber: CB8500142
Molecular Formula: C12H14N2
Formula Weight: 186.25
MOL File: 23051-44-7.mol

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2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Property

Melting point:: 73-77 °C (lit.)
Boiling point:: 175-176 °C(Press: 19 Torr)
Density: 1.007±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
color: White to Light yellow powder to crystal
InChI: InChI=1S/C12H14N2/c1-9-4-10(11(7-13)8-14)6-12(2,3)5-9/h4H,5-6H2,1-3H3
InChIKey: QTUUBOZSGQFLRZ-UHFFFAOYSA-N
SMILES: C(#N)/C(=C1\CC(C)(C)CC(C)=C\1)/C#N
EPA Substance Registry System: Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)- (23051-44-7)

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Safety

Hazard Codes: Xn
Risk Statements: 22-43
Safety Statements: 36/37
WGK Germany: 3
RTECS: TY1590000
Storage Class: 13 - Non Combustible Solids
Hazard Classifications: Skin Sens. 1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H317May cause an allergic skin reaction
Precautionary statements: P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 643769
Product name: (3,5,5-Trimethylcyclohex-2-enylidene)malononitrile
Packaging: 1g
Price: $78.1
Updated: 2022/05/15

TCI Chemical

Product number: T4113
Product name: 2-(3,5,5-Trimethylcyclohex-2-en-1-ylidene)malononitrile
Purity: min. 98.0 %
Packaging: 1G
Price: $209
Updated: 2026/03/19

TCI Chemical

Product number: T4113
Product name: 2-(3,5,5-Trimethylcyclohex-2-en-1-ylidene)malononitrile
Purity: min. 98.0 %
Packaging: 5G
Price: $628
Updated: 2026/03/19

TRC

Product number: B536895
Product name: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
Packaging: 500mg
Price: $130
Updated: 2021/12/16

TRC

Product number: B536895
Product name: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
Packaging: 100mg
Price: $45
Updated: 2021/12/16

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2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Chemical Properties,Usage,Production

Structure and conformation

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile (C12H14N2), monoclinic, P21/c (no. 14), a = 10.16290(10)Å, b = 8.25800(10)Å, c = 13.4328(2), β = 95.910(1)°, V = 1121.36(2)Å3, Z = 4, R gt (F) = 0.0380, wR ref (F2) = 0.1126, T = 294 K.

Synthesis

In a 100mL round bottom flask, isophorone 3.45 g (25 mmol) and malononitrile 1.65 g (25 mmol) were dissolved in anhydrous ethanol 50 mL. Then sodium acetate trihydrate (1g, 12.5mmol) was added. The mixture was heated to 80°C and stirred for about 12h. The reaction progress was monitored by TLC. Once the starting isophorone disappeared on TLC and the target spot formed regularly, the reaction mixture was cooled to room temperature. The solid sodium acetate trihydrate was removed by filtration. 25mL Ethanol was removed in a vacuum. The left mixture stood still at 27°C overnight. The crystals were collected by filtration and washed carefully with cooled anhydrous ethanol. 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile can be obtained by recrystallization one more time from ethanol.

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Suppliers

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View Lastest Price from 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile manufacturers

Shanghai Qianyi New Material Co., Ltd.

Product: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile 23051-44-7
Price: US $3000.00-30000.00/kg
Min. Order: 100kg
Purity: 98%
Supply Ability: 200kg
Release date: 2023-04-23

23051-44-7, 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrileRelated Search:

(E)-2-(3-(4-Hydroxystyryl)-5,5-methylcyclohex-2-enylidene)malononitrile Propanedinitrile, 2-[3-[(1E)-2-(4-bromophenyl)ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]- (E) -2- (3-cyano-4- (4-hydroxystyrene) -5,5-dimethylfuran-2 (5hydro) -subunit) malononitrile

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

(3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA&

(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-propanedinitril

(3,5,5-trimethyl-2-cyclohexen-1-ylidene)propanedinitrile

3-dicyanomethylene-1,5,5-trimethylcyclohexene

Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-

23051-44-7

Monomers

Polymer Science

Vinyl Halides, Amines, Amides, and Other Vinyl Monomers