フェンチクロール
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
識別子と物理属性
| CAS No. | 97-24-5 |
|---|---|
| 分子式 | C12H8Cl2O2S |
| 平均分子量 | 287.2 g/mol |
| 単同位体質量 | 285.9622061 g/mol |
| SMILES | Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O |
| InChIKey | ANUSOIHIIPAHJV-UHFFFAOYSA-N |
| PubChem CID | 7329 |
| ChEMBL | CHEMBL473535 |
| ChEBI | CHEBI:556580 |
| EC No. | 202-568-7 |
| DTXSID | DTXSID4026137 |
| 現地名 | フェンチクロール |
化学・物理的性質
| XLogP | 4.5 |
|---|---|
| 極性表面積 | 65.8 |
| 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 |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992) |
| 融点 | 348.4 to 368.2 °F (NTP, 1992)175°C |
| 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] |
| 沸点 | 416.7±45.0 °C(Predicted) |
| 密度 | 1.4186 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 7.91±0.48(Predicted) |
| 色 | White to Orange to Green |
| Merck | 14,4004 |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| 化粧品成分の機能 | 抗菌剤 |
| LogP（分配係数） | 4.400 (est) |
| CAS データベース | 97-24-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Fenticlor (97-24-5) |
化学的特性
white to pale yellow powder
安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Phenol, 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. |
| その他の安全情報 | IMAP assessments - Phenol, 2,2'-thiobis[4-chloro-: Human health tier I assessmentIMAP assessments - Phenol, 2,2'-thiobis[4-chloro-: Environment tier I assessment |
| 火災危険 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: This material may cause skin irritation.ACUTE/CHRONIC HAZARDS: This material may cause irritation of the skin on contact. Hazardous products are emitted when this chemical is heated to decomposition. (NTP, 1992) |
| 有害性の概要 | May be irritating to the skin[CAMEO] A photosensitizer reported in Canada, Britain, and Australia[Marks, p. 231-2] |
| 反応性グループ | Sulfides, Organic |
用途
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.
製法・合成法
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.