フェノール レッド
Phenol Red
基本情報
- CAS
143-74-8- 標準SMILES
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21- InChIKey
BELBBZDIHDAJOR-UHFFFAOYSA-N- 分子式
- C19H14O5S
- 平均分子量
- 354.4 g/mol
- 単同位体質量
- 354.05619455
概要
Phenol red is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney. It has a role as a diagnostic agent, an acid-base indicator and a two-colour indicator. It is a member of phenols, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.
名称と識別子
- 優先名称
- Phenol Red
- IUPAC
- 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
- 現地名
- フェノール レッド
- 英語名
- Phenol Red
- 分子式
- C19H14O5S
- 分子量
- 354.38
名称と別名
PHENOL REDphenolsulfonphthalein143-74-8FenolipunaSulphonthalPSP (indicator)PhenolsulphonphthaleinDTXSID8022408NSC-10459I6G9Y0J1OJDTXCID202408CHEBI:31991
名称をさらに表示
フェノール レッドフェノール レッド (0.04% 水溶液)フェノール レッド 0.1% (約20% エタノール溶液)フェノールスルフォンフタレインPSP(指示薬)スルホンフタールスルホンタールフェノールスルホンフタレインフェノールレッドスルフェンタールフェノリプーナフェノリプナ3,3-ビス(4-ヒドロキシフェニル)-3H-2,1-ベンゾオキサチオール1,1-ジオキシドフェノ-ル レッドフェノールレッド溶液フェノールレッド (0.04%水溶液)フェノールレッド (0.1%, 約20%エタノール溶液)フェノールレッド INDICATOR,ACS REAGENTフェノールレッド溶液 PH 6.8-8.4 PH測定用フェノールレッド溶液 PH 6.8-8.4 滴定用PRA-HYDROXY-A A-BIS(P-HYDROXYPHENYL)-O-TOLUENESULFONIC ACID G-SULTONEPRGRNR3C3P3532-5G
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 92.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 545
実験および物理化学的性質
Chemical ClassesDyes -> Indicator Dyes
LogP3.02
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOdorless, red solid; Available as pure compound, soluble monosodium salt, and dilute solutions; [CHEMINFO]
Collision Cross Section179.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044420]
物理化学的性質
- 融点
- 300 °C · >300 °C
- 沸点
- 300 °C · >300°C
- 比重(密度)
- 1.445 Mg · 1.445 Mg m-3
- 屈折率
- 1.53 · 1.5300 (estimate)
- 闪点
- 300 °C · >300°C
- 貯蔵温度
- no restrictions.
- 溶解性
- 1 M · 1 M NaOH: 可溶性 1 mg/mL
- 外見
- 個体
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (3 of 211) of reports.
Warning
H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide
Phenolsulfonphthalein: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryDust may be irritating if inhaled; [CHEMINFO]
Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SJ7490000
- 毒性
- LD50 orl-rat: >600 mg/kg CTOXAO 4(2),185,71
- hs_code
- 29349990
- risk_code
- 36/37/38-34
- 化審法
- (4)-271
- 安衛法
- 57,57-2
- hazard_code
- Xi,C
- safety_code
- 37/39-26-45-36/37/39-27
- Hazard Classifications
化学と産業
薬理情報
ATC Code
V - Various
QV - Various
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
用途と製造
UsesUsed as a pH indicator and marker of kidney function and other physiological functions; [CHEMINFO] Used as a pH indicator for the pH range of 6.4-8.2; [Ullmann]
Household ProductsInformation on 1 consumer products that contain Phenolsulfonphthalein in the following categories is provided:
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-: ACTIVE
応用分野
解説フェノールスルホンフタレイン,鮮赤色～暗赤色の結晶性粉末．空気中で安定である．無臭．水，有機溶媒に難溶，アルカリ水溶液に易溶．酸塩基指示薬として用いられる．変色域は pH 6.8(黄色)～8.4(赤色)．ナトリウム塩は腎機能検査薬として用いられる．森北出版「化学辞典（第2版）
用途ｐH測定用、中和滴定用指示薬(強塩基-弱酸系)。
説明Phenol red belongs to the class of triphenylmethane dyes and is widely used in the textile industry.
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