4-オキシラトフェノキシラジカル

(4-オキシラトベンゼン-1-イルオキシ)ラジカル · [(4-オキシラトベンゼン-1-イル)オキシ]ラジカル · 4-オキシラトフェノキシラジカル · (4-オキシラトフェノキシ)ラジカル · セミキノンラジカル · (4-オキシドフェニル)オキシダニル · Semiquinone radical · semiquinone radicals

https://huagongshe.com/ja/chemical/4650

識別子と物理属性

CAS No.	106-51-4
分子式	C6H4O2
平均分子量	108.09 g/mol
単同位体質量	108.02112937 g/mol
SMILES	O=C1C=CC(=O)C=C1
InChIKey	AZQWKYJCGOJGHM-UHFFFAOYSA-N
PubChem CID	4650
ChEMBL	CHEMBL8320
ChEBI	CHEBI:16509
EC No.	203-405-2
DTXSID	DTXSID6020145
現地名	4-オキシラトフェノキシラジカル

化学・物理的性質

XLogP	0.2
極性表面積	34.1
水素結合供与体数	0
水素結合受容体数	2
回転可能結合数	0
重原子数	8
形式電荷	0
複雑度	149
物質分類	Hazardous Air Pollutants (HAPs)Other Classes -> Aromatic KetonesFlammable agents - 2nd degree
医薬品	Pharmaceuticals
SpringerMaterials Properties	Schoenflies notation
農薬	Pesticide -> EPA IRIS
LogP（分配係数）	Log Kow = 0.200.3
臭い	PENETRATING ODOR RESEMBLING THAT OF CHLORINEAcrid, chlorine-like odor.
密度	1.318 at 68 °F (USCG, 1999) - Denser than waterwill sink1.318 AT 20 °C/4 °CRelative density of the vapour/air-mixture at 20 °C (air = 1): 1.01.318 @ 20°C1.32
Color/Form	YELLOW MONOCLINIC PRISMS FROM WATER OR PETROLEUM ETHERGreenish-yellowish solidPale-yellow solid.
溶解度	Slightly soluble (NTP, 1992)SOL IN ALKALIES, HOT PETROLEUM ETHER> 10% in ether> 10% in ethanolWater solubility = 1.113X10+4 mg/l @ 18 °C11.1 mg/mL at 18 °C
引火点	559 °F (NTP, 1992)93 °C100-200 °F (38-93 °C) (CLOSED CUP)
沸点	SUBLIMES (NTP, 1992)~180 °C
融点	240.3 °F (NTP, 1992)115.7 °CHeat of fusion at melting point = 1.845X10+7 J/kmol116 °C115 °C

安全性と法規制

GHS 分類	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301+H331 (14.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
規制情報	Chemical: 2,5-Cyclohexadiene-1,4-dioneHazard Traits - Dermatotoxicity2,5-Cyclohexadiene-1,4-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Cyclohexadiene-1,4-dione are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 14-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/249471,4-Benzoquinone: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
その他の安全情報	Evaluation - Hydroquinone and p-benzoquinone
輸送ラベル（DOT）	Poison
火災危険	Special Hazards of Combustion Products: Contain irritating and toxic fumes, including carbon dioxide and carbon monoxide.· Combustible material: may burn but does not ignite readily.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 38 °C explosive vapour/air mixtures may be formed. Finely dispersed particles form explosive mixtures in air.
火災の可能性	Combustible.
健康有害性	Poisonousmay be fatal if inhaled, swallowed or absorbed through the skin. Contact with solid, vapor or solution can cause severe local damage to the skin and mucous membranes. Symptoms include discoloration, severe irritation, erythema, swelling, papules and vesicles. Necrosis may result from long exposure. The eyes may experience irritation, conjunctivitis, photophobia, lacrymation and burning sensations. The cornea may suffer ulceration and scarring. Chronic eye exposure causes gradual brownish discoloration of the conjunctiva and cornea, small corneal opacities and damage in corneal structure which cause loss of visual acuity. (USCG, 1999)