CAS No.1206-49-1,1-(2,6-Dimethyl-phenyl)-pyrrole-2,5-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1206-49-1
Name:	1-(2,6-Dimethyl-phenyl)-pyrrole-2,5-dione
Article Data:	4

Formula:	C₁₂H₁₁NO₂
Molecular Weight:	201.225
Synonyms:	Maleimide,N-2,6-xylyl- (7CI,8CI);N-(2,6-Dimethylphenyl)maleimide;N-(2,6-Xylyl)maleimide;NSC 39731;
Density:	1.235 g/cm³
Melting Point:	108-109.2 °C
Boiling Point:	323 °C at 760 mmHg
Flash Point:	141.4 °C
PSA:	37.38000
LogP:	1.79780

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Specification

The IUPAC name of this chemical is 1-(2,6-dimethylphenyl)pyrrole-2,5-dione. With the CAS registry number 1206-49-1, it is also named as 1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-. In addition, this chemical is an organic compound with the formula C₁₂H₁₁NO₂ and the molecular weight 201.22124.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 Å²; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 55.97 cm³; (9)Molar Volume: 162.8 cm³; (10)Polarizability: 22.18×10^-24 cm³; (11)Surface Tension: 51 dyne/cm; (12)Enthalpy of Vaporization: 56.48 kJ/mol; (13)Boiling Point: 323 °C at 760 mmHg; (14)Vapour Pressure: 0.00027 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 201.078979; (17)MonoIsotopic Mass: 201.078979; (18)Topological Polar Surface Area: 37.4; (19)Heavy Atom Count: 15; (20)Complexity: 294.

Uses of 1-(2,6-Dimethyl-phenyl)-pyrrole-2,5-dione: It can react with 2,5-dimethyl-furan-3-carbaldehyde oxime to get 3-(2,5-dimethyl-3-furyl)-5-(2,6-dimethylphenyl)-4,6-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]isoxazole. This reaction needs reagent sodium hypochlorite and triethylamine and solvent CH₂Cl₂ at ambient temperature. The yield is 74%.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2\C=C/C(=O)N2c1c(cccc1C)C
2. InChI:InChI=1/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
3. InChIKey:VMDQUQBEIFMAIC-UHFFFAOYAP
4. Std. InChI:InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
5. Std. InChIKey:VMDQUQBEIFMAIC-UHFFFAOYSA-N