基本情報
- 標準SMILES
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O- InChIKey
ANUSOIHIIPAHJV-UHFFFAOYSA-N- 分子式
- C12H8Cl2O2S
- 平均分子量
- 287.2 g/mol
- 単同位体質量
- 285.9622061
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
名称をさらに表示
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
- 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
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
- 4.4 · 4.400 (est)
- CAS データベース
- 97 · 97-24-5(CAS DataBase Reference)
- EPAの化学物質情報
- Fenticlor (97-24-5)
化学的性質
化学的特性white to pale yellow powder
安全と法規制
GHS分類
GHS Classification
Danger
H315 (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 exposure; Respiratory 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.
危険有害性情報
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.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
毒性情報
法規制情報
安全データ
- rtecs
- SN0350000
- 毒性
- LDLo intraperitoneal in mouse: 250mg/kg
- hs_code
- 2930.90.2900
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
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];Plastic Composites Manufacturing [Category: Industry];Dressing Hair [Category: Other]
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.
上流・下流製品情報
上流原料
下流製品
サプライヤー44 社
補足説明
定義ChEBI: An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.
関連反応
関連ノート
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