Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI) supplier

Name
Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI)
EINECS
CAS No. 54449-30-8
Density 1.74 g/cm³
Solubility
Melting Point
Formula C₆H₅N₃O₂
Boiling Point
Molecular Weight 151.12
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[1,2-a][1,3,5]triazine-2,4-dione;Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione;
PSA 70.13000
LogP -0.68410

Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI) Specification

The CAS registry number of Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9Cl) is 54449-30-8. The IUPAC name is 1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione. In addition, the molecular formula is C₆H₅N₃O₂ and the molecular weight is 151.12. What's more, it belongs to the class of Triazine. And it should be stored in a cool and dry place.

Physical properties about Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9Cl) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 12.03; (4)ACD/KOC (pH 7.4): 11.98; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 63.13 Å²; (9)Index of Refraction: 1.793; (10)Molar Refractivity: 36.86 cm³; (11)Molar Volume: 86.7 cm³; (12)Polarizability: 14.61 ×10^-24cm³; (13)Surface Tension: 82.3 dyne/cm; (14)Density: 1.74 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1cccn1C(=O)N2
(2)InChI: InChI=1/C6H5N3O2/c10-5-7-4-2-1-3-9(4)6(11)8-5/h1-3H,(H2,7,8,10,11)
(3)InChIKey: IOBJPPFCOVRIRS-UHFFFAOYAN

Product Name

Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI)

Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI) Specification

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