2,4-Dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one

HCID 62545CAS 4645-07-2

基本情報

標準SMILES: COc1ccccc1N=NC1C(=O)N(c2ccccc2)N=C1C
InChIKey: UXNFQAZIRFBOKO-UHFFFAOYSA-N
分子式: C17H16N4O2
平均分子量: 308.33 g/mol
単同位体質量: 308.12732575

名称と識別子

優先名称: 2,4-Dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one
IUPAC: 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
英語名: Solvent Yellow 72
分子式: C17H16N4O2
分子量: 308.33454

名称と別名

2,4-DIHYDRO-4-[(2-METHOXYPHENYL)AZO]-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE2,4-Dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-RefChem:443601Solvent Yellow 724645-07-2C.I. Solvent Yellow 724-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one2,4-Dihydro-4-[2-(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4-((2-METHOXYPHENYL)DIAZENYL)-5-METHYL-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE

名称をさらに表示

S.Y72OilyellowOAPC.I.Solvent Yellow 72C.I.Solvent Yellow 72:C.I.127450

4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-4-(2-(2-methoxyphenyl)diazenyl)-5-methyl-2-phenyl-UNII-U4AYW7ZJ904645-02-7SCHEMBL2388626DTXSID3044677SCHEMBL30215701UXNFQAZIRFBOKO-UHFFFAOYSA-N

データベース識別子

CAS: 4645-07-2、61813-98-7
PubChem CID: 62545
DTXSID: DTXSID3044677
EC Number: 225-074-3、612-430-1
Nikkaji: J297.863F

物性

構造計算による物性

XLogP: 3.3
極性表面積: 66.6 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 485

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 16.5% (26 of 158) of reports.

Warning

H302 (24.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 158 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory InformationChemical: 3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-

Other Safety InformationIMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment

Hazard Classes and Categories · 2 件

Acute Tox. 4 (24.7%)

Carcinogenicity - category 2

化学と産業

用途と製造

Household ProductsInformation on 2 consumer products that contain Solvent Yellow 72 in the following categories is provided:

General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-: ACTIVE

調製方法

製造方法O-Anisidine diazotization, with 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling.

サプライヤー8 社

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