フェンチクロール
Fenticlor
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基本情報
- CAS
97-24-5- 標準SMILES
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O- InChIKey
ANUSOIHIIPAHJV-UHFFFAOYSA-N- 分子式
- [ClC6H3(OH)]2S
- 平均分子量
- 287.2 g/mol
- 単同位体質量
- 285.9622061
概要
2,2'-thiobis(4-chlorophenol) appears as white to cream-colored solid or pale yellow powder. White crystalline solid melting from 175.8-186.8 °C. Odorless and insoluble in water.
名称と識別子
- 優先名称
- Fenticlor
- IUPAC
- 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
- 現地名
- フェンチクロール
- 英語名
- BIS(2-HYDROXY-5-CHLOROPHENYL) SULFIDE
- 分子式
- C12H8Cl2O2S
- 分子量
- 287.16
名称と別名
Fenticlor97-24-52,2'-THIOBIS(4-CHLOROPHENOL)Bis(2-hydroxy-5-chlorophenyl) sulfideFentichlorNovexPhentichlorumMeflorinOvitrolOksidBis(2-hydroxy-5-chlorophenyl)sulfideFenticloro
名称をさらに表示
ビス(2-ヒドロキシ-5-クロロフェニル)スルフィドフェンチクロルノベックス2,2'-チオビス(4-クロロフェノール)フェンチクーロルオビトロールフェンチクロ-ル2,2'-チオビス(5-クロロフェノール) スルフィド 塩化物2,2'-ジヒドロキシ-5,5'-ジクロロジフェニルスルフィドビス(5-クロロ-2-ヒドロキシフェニル)スルフィド2,2'-チオビス(5-クロロフェノール)フェンチクロール4-クロロ-2-[(5-クロロ-2-ヒドロキシフェニル)スルファニル]フェノール2,2′-チオビス(4-クロロフェノール)d25D 25cr305HL 1050
D 25-AntimykotikumS 7 (antimycotic)FenticlorumPhenol, 2,2'-thiobis[4-chloro-2,2'-Dihydroxy-5,5'-dichlorodiphenyl sulfide2,2'-sulfanediylbis(4-chlorophenol)Ph 549CR 305
データベース識別子
- CAS
97-24-5- PubChem CID
- 7329
- DTXSID
DTXSID4026137- ChEMBL
CHEMBL473535- ChEBI
CHEBI:556580- UNII
- D61659OVD0
- EC Number
- 202-568-7
- Nikkaji
- J4.947F
物性
構造計算による物性補完中
- XLogP
- 4.5
- 極性表面積
- 65.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 231
実験および物理化学的性質
Chemical ClassesOther Uses -> Biocides/Disinfectants
CosmeticsAntimicrobial
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point348.4 to 368.2 °F (NTP, 1992)
Physical Description
2,2'-thiobis(4-chlorophenol) appears as white to cream-colored solid or pale yellow powder. White crystalline solid melting from 175.8-186.8 °C. Odorless and insoluble in water.
White to cream-colored solid or pale yellow powder; [CAMEO]
物理化学的性質
- 融点
- 175 °C · 175°C
- 沸点
- 416.7 · 416.7±45.0 °C(Predicted)
- 比重(密度)
- 1.4186 · 1.4186 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 7.91 · 7.91±0.48(Predicted)
- 色
- White to Orange to Green
- Merck
- 14 · 14,4004
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationPhenol, 2,2'-thiobis[4-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Phenol, 2,2'-thiobis[4-chloro-: Human health tier I assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This material may cause skin irritation.
Hazards SummaryMay be irritating to the skin; [CAMEO] A photosensitizer reported in Canada, Britain, and Australia; [Marks, p. 231-2]
Reactive GroupSulfides, Organic
Reactivity Profile
2,2'-THIOBIS(4-CHLOROPHENOL) is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials may generate heat and toxic or flammable gases.
化学と産業
用途と製造
Uses
Classification Code: Anti-infective, topical ; Antifungal agents [NLM, ChemIDplus] Used as a preservative in water circulation systems to prevent the growth of algae and slime; it has antimicrobial activity against bacteria, fungi, and algae; [Ullmann] Used in cosmetics (hair dressings and antifungal creams) sold outside the United States; also reported in workers handling thermoplastic resins; [Marks, p. 231]
Metal Machining [Category: Heat or Machine]
Use ClassificationCosmetics -> Antimicrobial
応用分野
使用Fungicide; especially used against Monosporium apiospermum: Reifferscheid, Seeliger, Dtsch. Med. Wochenschr. 80, 1841, 1850 (1955).
一般的な説明White to cream-colored solid or pale yellow powder. White crystalline solid melting from 175.8-186.8°C. Odorless and insolbule in water.
調製方法
製造方法Fenticlor is produced (1) by the reaction of 4-chlorophenol with sulfur dichloride in the presence of AlCl3 or (2) by chlorination of 2,2'-thiobisphenol with chlorine in glacial acetic acid or with SO2Cl2 in dichlorobenzene. It shows a tendency to discoloration. Fenticlor has a broad range of antimicrobial action; it is, e.g., effective against bacteria, fungi, yeasts, and algae. Fenticlor is therefore used as a preservative for aqueous functional fluids and to control algae and slime in process water circulation systems.
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