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CAS No.: | 1631-28-3 |
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Name: | 1-(4-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C11H9NO2 |
Molecular Weight: | 187.198 |
Synonyms: | N-p-Tolylmaleimide;N-(p-Methylphenyl)maleimide;N-4-Tolylmaleimide;p-Tolylmaleimide;NSC 13691;Maleimide,N-p-tolyl- (7CI,8CI);1-(4-Methylphenyl)-1H-pyrrole-2,5-dione;IT 510;N-(4-Methylphenyl)maleimide; |
Density: | 1.277 g/cm3 |
Melting Point: | 149-150 °C |
Boiling Point: | 333.2 °C at 760 mmHg |
Flash Point: | 154.2 °C |
Hazard Symbols: | Xi |
PSA: | 37.38000 |
LogP: | 1.48940 |
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The 1H-Pyrrole-2,5-dione,1-(4-methylphenyl)- is an organic compound with the formula C11H9NO2. The IUPAC name of this chemical is 1-(4-Methylphenyl)pyrrole-2,5-dione. With the CAS registry number 1631-28-3, it is also named as 1-(4-Methylphenyl)-1H-pyrrole-2,5-dione. Besides, its molecular weight is 187.19.
Physical properties about 1H-Pyrrole-2,5-dione,1-(4-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: 20.27×10-24 cm3; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.277 g/cm3; (17)Flash Point: 154.2 °C; (18)Enthalpy of Vaporization: 57.6 kJ/mol; (19)Boiling Point: 333.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000139 mmHg at 25 °C.
Uses of 1H-Pyrrole-2,5-dione,1-(4-methylphenyl)- it can be used to produce 1'-p-Tolyl-[1,3']bipyrrolidinyl-2',5'-dione. It will need solvent benzene. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
(2)InChIKey: KCFXNGDHQPMIAQ-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
(4)Std. InChIKey: KCFXNGDHQPMIAQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 360mg/kg (360mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. Link to PubMed | |
rat | LD50 | oral | 710mg/kg (710mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. Link to PubMed | |
rat | LDLo | intraperitoneal | 50mg/kg (50mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953. |