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Name |
1H-Pyrrole-2,5-dione,1-(2-methylphenyl)- |
EINECS | N/A |
CAS No. | 4067-01-0 | Density | 1.277 g/cm3 |
PSA | 37.38000 | LogP | 1.48940 |
Solubility | N/A | Melting Point |
70-71 °C |
Formula | C11H9NO2 | Boiling Point | 311.4 °C at 760 mmHg |
Molecular Weight | 187.198 | Flash Point | 139.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Maleimide,N-o-tolyl- (7CI,8CI);N-(2-Methylphenyl)maleimide;N-(o-Methylphenyl)maleimide;N-2-Tolylmaleimide;N-o-Tolylmaleimide;NSC 39640;NSC 52611;NSC 56115; |
Article Data | 17 |
The 1H-Pyrrole-2,5-dione,1-(2-methylphenyl)- is an organic compound with the formula C11H9NO2. The IUPAC name of this chemical is 1-(2-methylphenyl)pyrrole-2,5-dione. With the CAS registry number 4067-01-0, it is also named as N-(ortho-Tolyl)-maleimide.
Physical properties about 1H-Pyrrole-2,5-dione,1-(2-methylphenyl)- are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.55; (4)ACD/BCF (pH 5.5): 8.87; (5)ACD/BCF (pH 7.4): 8.87; (6)ACD/KOC (pH 5.5): 166.05; (7)ACD/KOC (pH 7.4): 166.05; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.38 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 51.14 cm3; (13)Molar Volume: 146.5 cm3; (14)Polarizability: 20.27×10-24cm3; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.277 g/cm3; (17)Flash Point: 139.3 °C; (18)Enthalpy of Vaporization: 55.23 kJ/mol; (19)Boiling Point: 311.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000565 mmHg at 25°C.
Uses of 1H-Pyrrole-2,5-dione,1-(2-methylphenyl)-: it can be used to produce 3-morpholin-4-yl-1-o-tolyl-pyrrolidine-2,5-dione at temperature of 80 - 100 °C. It will need reagent dioxane with reaction time of 1 hour. The yield is about 37.4%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C/C(=O)N2c1c(cccc1)C
(2)InChI: InChI=1/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3
(3)InChIKey: QYOJZFBQEAZNEW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3
(5)Std. InChIKey: QYOJZFBQEAZNEW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 250mg/kg (250mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953. | |
rat | LDLo | intraperitoneal | 50mg/kg (50mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953. |