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155272-58-5

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Basic Information
CAS No.: 155272-58-5
Name: Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, br omide
Molecular Structure:
Molecular Structure of 155272-58-5 (Pyridinium, 1-(2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, br omide)
Formula: C17H16 N O3 . Br
Molecular Weight: 362.25
Synonyms: Pyridinium,1-[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]ethyl]-, bromide (9CI)
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.
PSA: 43.32000
LogP: -0.52810
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    Pyridinium,1-[2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]ethyl]-, bromide (1:1)

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    1-(2-((4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)ETHYL)PYRIDINIUM BROMIDECAS

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Chemistry

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

Toxicity Data With Reference

1.    

ipr-mus LD50:175 mg/kg

     PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 27 (1993),766.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.

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 .