1(2H)-Phthalazinone

HCID 8394CAS 119-39-1

基本情報

標準SMILES
O=c1[nH]ncc2ccccc12
InChIKey
IJAPPYDYQCXOEF-UHFFFAOYSA-N
分子式
C8H6N2O
平均分子量
146.15 g/mol
単同位体質量
146.04801281

概要

1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
1(2H)-Phthalazinone
IUPAC
2H-phthalazin-1-one
英語名
1-hydroxyphthalazine
分子量
0

名称と別名

1(2H)-PHTHALAZINONE119-39-1Phthalazin-1(2H)-onePhthalazonePhthalazin-1-one1-PhthalazinolDTXSID4025903463ZJB0EI2CHEBI:34023DTXCID505903RefChem:863029204-319-8
名称をさらに表示
Phthalazinol (9CI)
Phthalazinone2H-Phthalazin-1-onephthalazin-1-ol1-Hydroxyphthalazine1(2H)Phthalazinone1,2-dihydrophthalazin-1-oneMFCD000068921-phthalazinone

データベース識別子

CAS
119-39-1、62054-23-3
PubChem CID
8394
DTXSID
DTXSID4025903
ChEMBL
CHEMBL124706
ChEBI
CHEBI:34023
UNII
463ZJB0EI2
EC Number
204-319-8
Nikkaji
J3.096.279F、J36.830J

物性

構造計算による物性

XLogP
0.8
極性表面積
41.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
PesticidesPesticide degradation product
LogP0.75
SolubilityInsoluble (NTP, 1992)
Boiling Point639 °F at 760 mmHg (NTP, 1992)
Melting Point361 to 363 °F (NTP, 1992)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (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.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21566

1(2H)-Phthalazinone: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Hazards SummaryMay cause irritation; [Aldrich MSDS]
Reactive GroupAmides and Imides
Reactivity ProfileThis material reacts with strong oxidizing agents and strong bases [Sigma-Aldrich MSDS].
Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: 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.

Nonfire Spill Response · 1 件

SMALL 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) · 1 件

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)

毒性情報

Non-Human Toxicity Excerpts · 1 件

1(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-Quality · 3 件

Phthalazinone

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

化学と産業

用途と製造

Uses · 2 件

Used as a chemical intermediate for hydralazine (antihypertensive agent); [HSDB]

CHEM INT FOR HYDRALAZINE, AN ANTIHYPERTENSIVE AGENT

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1976) 6.47X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1979) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2 件

(1977) 1.30X10+8 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumption PatternsPROBABLY 100% AS A CHEMICAL INTERMEDIATE
Methods of ManufacturingREACTION OF PHTHALALDEHYDIC ACID WITH HYDRAZINE

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関連反応

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