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253-52-1

253-52-1 structural image
Product Name: Phthalazine
Formula: C8H6N2
Synonyms: β-Phenodiazine;2,3-Benzodiazine;Phthalazine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow solid; [Merck Index] Yellow crystalline solid; [Sigma-Aldrich MSDS]
Ionization Efficiency Positive
Kovats Retention Index 1437
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H341:Germ cell mutagenicity
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 130.15 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 130.053098200 g/mol
Monoisotopic Mass 130.053098200 g/mol
Topological Polar Surface Area 25.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 99.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Phthalazine is an azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines. It is a mancude organic heterobicyclic parent, a member of phthalazines, an azaarene and an ortho-fused heteroarene.

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