2,2''-티오비스(4-클로로페놀)
2,2''-티오비스(4-클로로페놀) · 2,2'-티오비스(4-클로로페놀) · BIS(2-HYDROXY-5-클로로페닐)황화물 · 2,2'-THIOBIS(4-CHLOROPHENOL) · d25 · D 25 · cr305 · Novex
식별자 및 물리적 특성
| CAS No. | 97-24-5 |
|---|---|
| 분자식 | C12H8Cl2O2S |
| 평균 분자량 | 287.2 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2,2''-티오비스(4-클로로페놀) |
화학 및 물리적 성질
| XLogP | 4.5 |
|---|---|
| 극성 표면적 | 65.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 231 |
| 용해도 | less than 1 mg/mL at 72 °F (NTP, 1992) |
| 녹는점 | 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] |
| 끓는 점 | 416.7±45.0 °C(Predicted) |
| 밀도 | 1.4186 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 7.91±0.48(Predicted) |
| 색상 | White to Orange to Green |
| Merck | 14,4004 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 항균 |
| LogP(분배 계수) | 4.400 (est) |
| EPA | Fenticlor (97-24-5) |
화학적 성질
white to pale yellow powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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. |
| 기타 안전 정보 | IMAP assessments - Phenol, 2,2'-thiobis[4-chloro-: Human health tier I assessmentIMAP assessments - Phenol, 2,2'-thiobis[4-chloro-: Environment tier I assessment |
| 화재 위험 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 건강 유해성 | 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) |
| 유해성 요약 | May be irritating to the skin[CAMEO] A photosensitizer reported in Canada, Britain, and Australia[Marks, p. 231-2] |
| 반응성 그룹 | Sulfides, Organic |
용도
용도
Fungicide; especially used against Monosporium apiospermum: Reifferscheid, Seeliger, Dtsch. Med. Wochenschr. 80, 1841, 1850 (1955).
일반 설명
White to cream-colored solid or pale yellow powder. White crystalline solid melting from 175.8-186.8°C. Odorless and insolbule in water.
제조 및 합성 방법
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.