253-52-1
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.