1H-Pyrrole-2,5-dione,1-(4-methylphenyl)- supplier

Name
1-(4-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE
EINECS
CAS No. 1631-28-3
Article Data40
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point 149-150 °C
Formula C₁₁H₉NO₂
Boiling Point 333.2 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 154.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 37.38000
LogP 1.48940

1H-Pyrrole-2,5-dione,1-(4-methylphenyl)- Specification

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)	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.

Product Name

1-(4-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE

1H-Pyrrole-2,5-dione,1-(4-methylphenyl)- Specification

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