1H-Isoindol-1-one,3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo- (9CI) supplier

Name
3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one]
EINECS 279-956-8
CAS No. 82457-14-5
Density 2.71 g/cm³
Solubility
Melting Point
Formula C₂₃H₈Br₈N₄O₂
Boiling Point 880 °C at 760 mmHg
Molecular Weight 1011.5672
Flash Point 486 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3'-[(2-Methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one];
PSA 89.90000
LogP 9.75920

1H-Isoindol-1-one,3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo- (9CI) Specification

The 1H-Isoindol-1-one,3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo- (9CI), with the CAS registry number 82457-14-5, is also known as 3,3'-[(2-Methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one]. Its EINECS registry number is 279-956-8. This chemical's molecular formula is C₂₃H₈Br₈N₄O₂ and molecular weight is 1011.56722. What's more, both its IUPAC name and systematic name are the same which is called 4,5,6,7-Tetrabromo-3-[2-methyl-3-[(4,5,6,7-tetrabromo-3-oxoisoindol-1-yl)amino]anilino]isoindol-1-one.

Physical properties about 1H-Isoindol-1-one,3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo- (9CI) are: (1)ACD/LogP: 9.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.03; (4)ACD/LogD (pH 7.4): 9.03; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 82.92 Å²; (9)Index of Refraction: 1.874; (10)Molar Refractivity: 169.98 cm³; (11)Molar Volume: 372.7 cm³; (12)Surface Tension: 75.7 dyne/cm; (13)Density: 2.71 g/cm³; (14)Flash Point: 486 °C; (15)Enthalpy of Vaporization: 127.91 kJ/mol; (16)Boiling Point: 880 °C at 760 mmHg; (17)Vapour Pressure: 1.67E-31 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c5c(c(Br)c(Br)c1Br)C(=O)N=C5Nc4cccc(NC3=NC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4C
(2) InChI: InChI=1/C23H8Br8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)
(3) InChIKey: XYXBFIIHDWBWHV-UHFFFAOYAY

Product Name

3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one]

1H-Isoindol-1-one,3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo- (9CI) Specification

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