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Basic Information
CAS No.: 59789-51-4
Name: 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
Article Data: 1
Molecular Structure:
Molecular Structure of 59789-51-4 (1-(2,4,6-tribromophenyl)pyrrole-2,5-dione)
Formula: C10H4Br3NO2
Molecular Weight: 409.859
Synonyms: Actimer FR1033;FR 1033;N-(2,4,6-Tribromophenyl)maleimide;
Density: 2.292 g/cm3
Boiling Point: 442.6 °C at 760 mmHg
Flash Point: 221.5 °C
PSA: 37.38000
LogP: 3.46850
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Specification

The 1H-Pyrrole-2, 5-dione, 1-(2, 4, 6-tribromophenyl)-, with the CAS registry number of 59789-51-4, is also known as 1-(2, 4, 6-Tribromophenyl)-1H-pyrole-2, 5-dione and N-(2, 4, 6-Tribromophenol)maleinimide. This chemical's molecular formula is C10H4Br3NO2 and molecular weight is 409.8563. What's more, its IUPAC name is 1-(2, 4, 6-Tribromophenyl)pyrrole-2, 5-dione. This chemical's classification codes are TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Physical properties about 1H-Pyrrole-2, 5-dione, 1-(2, 4, 6-tribromophenyl)- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 178.47; (6)ACD/BCF (pH 7.4): 178.47; (7)ACD/KOC (pH 5.5): 1423.26; (8)ACD/KOC (pH 7.4): 1423.26; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 69.39 cm3; (15)Molar Volume: 178.8 cm3; (16)Surface Tension: 67.1 dyne/cm; (17)Density: 2.292 g/cm3; (18)Flash Point: 221.5 °C; (19)Enthalpy of Vaporization: 70.01 kJ/mol; (20)Boiling Point: 442.6 °C at 760 mmHg; (21)Vapour Pressure: 4.97E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(c(Br)cc(Br)c1)N2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C10H4Br3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H
(3) InChIKey: ONEIBTGSNPDDSB-UHFFFAOYAD