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| Name |
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide |
EINECS | N/A |
| CAS No. | 155272-58-5 | Density | g/cm3 |
| PSA | 43.32000 | LogP | -0.52810 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H16 N O3 . Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 362.25 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyridinium,1-[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]ethyl]-, bromide (9CI) |
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide Chemical Properties
Molecule structure of Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide (CAS NO.155272-58-5):
IUPAC Name: 4-Methyl-7-(2-pyridin-1-ium-1-ylethoxy)chromen-2-one bromide
Molecular Weight: 362.21784 g/mol
Molecular Formula: C17H16BrNO3
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 361.031356
MonoIsotopic Mass: 361.031356
Topological Polar Surface Area: 39.4
Heavy Atom Count: 22
Complexity: 401
Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]3=CC=CC=C3.[Br-]
InChI: InChI=1S/C17H16NO3.BrH/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18;/h2-8,11-12H,9-10H2,1H3;1H/q+1;/p-1
InChIKey of Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide (CAS NO.155272-58-5): LWLXEQHHKQZBAJ-UHFFFAOYSA-M
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide Toxicity Data With Reference
| 1. | ipr-mus LD50:175 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 27 (1993),766. |
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide Specification
Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide (CAS NO.155272-58-5) is also named as 1-(2-((4-Methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)pyridinium bromide .
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