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HCID 8394Erstellt: 26. Oktober 2026

1(2H)-Phthalazinone

Phthalazinol (9CI) · 1-hydroxyphthalazine

https://huagongshe.com/de/chemical/8394

Molekülstruktur von 1(2H)-Phthalazinone

Identifikatoren & physikalische Daten

CAS No.119-39-1
SummenformelC8H6N2O
Durchschnittliche Molmasse146,15 g/mol
Monoisotopische Masse146,04801281 g/mol
SMILESO=c1[nH]ncc2ccccc12
InChIKeyIJAPPYDYQCXOEF-UHFFFAOYSA-N
PubChem CID8394
ChEMBLCHEMBL124706
ChEBICHEBI:34023
EC No.204-319-8
DTXSIDDTXSID4025903

Chemische & physikalische Eigenschaften

XLogP0,8
Polarare Oberfläche (TPSA)41,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität200
StoffklassenNitrogen Compounds -> Other Nitrogen Rings
PestizidePesticide degradation product
LogP (Verteilungskoeffizient)0.75
LöslichkeitInsoluble (NTP, 1992)
Siedepunkt639 °F at 760 mmHg (NTP, 1992)
Schmelzpunkt361 to 363 °F (NTP, 1992)
Dampfdruck0.00000257 [mmHg]
Physical Description1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)Pale yellow solid[CAMEO] Beige crystalline solid[Aldrich MSDS]

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische InformationenStatus: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/215661(2H)-Phthalazinone: Does not have an individual approval but may be used under an appropriate group standard
BrandgefahrenFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
GefahrenübersichtMay cause irritation[Aldrich MSDS]
Reaktive GruppeAmides and Imides
Reactivity ProfileThis material reacts with strong oxidizing agents and strong bases [Sigma-Aldrich MSDS].
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Non-Human Toxicity Excerpts1(2H)-Phthalazinone (PA) was tested for mutagenicity in the Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. PA was tested over a wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. PA was negative in these tests and the highest ineffective dose level tested in any Salmonella tester strain was 10,000 ug/plate.
USGS Health-Based Screening Levels for Evaluating Water-QualityPhthalazinonePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP