-
Name
2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide
- EINECS 278-388-8
- CAS No. 76199-85-4
- Density 1.511 g/cm3
- Solubility
- Melting Point
- Formula C16H11N5O4
- Boiling Point
- Molecular Weight 337.29
- Flash Point
- Transport Information
- Appearance Greenish yellow fine powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms C.I. 56290;C.I. Pigment Yellow 185;Enceprint Yellow 1155;Paliotol Yellow D 1155;Paliotol Yellow L 1155;Paliotol Yellow S 1155;
- PSA 143.95000
- LogP -0.84662
Pigment Yellow 185 Specification
The Pigment Yellow 185, with the CAS registry number 76199-85-4, is also known as Acetamide, 2-cyano-2-(2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene)-N-methyl-. Its EINECS number is 278-388-8. This chemical's molecular formula is C16H11N5O4 and molecular weight is 337.29. What's more, its systematic name is 2-Cyano-N-methyl-2-[3-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical can be used for coloring of plastic, coatings, inks, and paints. It has good light fastness and mobility resistance.
Physical properties of Pigment Yellow 185 are: (1)ACD/LogP: -2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.92; (4)ACD/LogD (pH 7.4): -4.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 140.19 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 81.987 cm3; (15)Molar Volume: 223.209 cm3; (16)Polarizability: 32.502×10-24cm3; (17)Surface Tension: 70.6 dyne/cm; (18)Density: 1.511 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\3NC(=O)NC(=O)C/3=C1/NC(c2ccccc12)=C(C#N)C(=O)NC
(2)Std. InChI: InChI=1S/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)
(3)Std. InChIKey: ACUPDOXCXXCPIX-UHFFFAOYSA-N
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