2,2''-티오비스(4-클로로페놀)
Fenticlor
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기본 정보
- CAS
97-24-5- 표준 SMILES
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O- InChIKey
ANUSOIHIIPAHJV-UHFFFAOYSA-N- 분자식
- [ClC6H3(OH)]2S
- 평균 분자량
- 287.2 g/mol
- 단동위원소 질량
- 285.9622061
개요
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.
이름 및 식별자
- 우선 이름
- Fenticlor
- IUPAC
- 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
- 현지명
- 2,2''-티오비스(4-클로로페놀)
- 영어명
- BIS(2-HYDROXY-5-CHLOROPHENYL) SULFIDE
- 분자식
- C12H8Cl2O2S
- 분자량
- 287.16
이름 및 동의어
Fenticlor97-24-52,2'-THIOBIS(4-CHLOROPHENOL)Bis(2-hydroxy-5-chlorophenyl) sulfideFentichlorNovexPhentichlorumMeflorinOvitrolOksidBis(2-hydroxy-5-chlorophenyl)sulfideFenticloro
이름 더 보기
2,2''-티오비스(4-클로로페놀)2,2'-티오비스(4-클로로페놀)BIS(2-HYDROXY-5-클로로페닐)황화물d25D 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
데이터베이스 식별자
- CAS
97-24-5- PubChem CID
- 7329
- DTXSID
DTXSID4026137- ChEMBL
CHEMBL473535- ChEBI
CHEBI:556580- UNII
- D61659OVD0
- EC Number
- 202-568-7
- Nikkaji
- J4.947F
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 65.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 231
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 175 °C · 175°C
- 끓는 점
- 416.7 · 416.7±45.0 °C(Predicted)
- 밀도
- 1.4186 · 1.4186 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.91 · 7.91±0.48(Predicted)
- 색상
- White to Orange to Green
- Merck
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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.
화학 및 산업
용도 및 제조
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
응용 분야
용도Fungicide; especially used against Monosporium apiospermum: Reifferscheid, Seeliger, Dtsch. Med. Wochenschr. 80, 1841, 1850 (1955).
일반 설명White to cream-colored solid or pale yellow powder. White crystalline solid melting from 175.8-186.8°C. Odorless and insolbule in water.
제조 방법
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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