기본 정보
- CAS
4418-66-0- 표준 SMILES
Cc1cc(Cl)cc(O)c1Sc1c(C)cc(Cl)cc1O- InChIKey
HQRDNJVKXWYKAR-UHFFFAOYSA-N- 분자식
- [H3CC6H2(Cl)(OH)]2S
- 평균 분자량
- 315.2 g/mol
- 단동위원소 질량
- 313.9935062
개요
Phenol, 2,2'-thiobis-4-chloro-6-methyl- is a solid. (EPA, 1998)
이름 및 식별자
- 우선 이름
- Phenol, 2,2'-thiobis(4-chloro-6-methyl)-
- IUPAC
- 5-chloro-2-(4-chloro-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
이름 및 동의어
ChlorbisanOrbisanCaswell No. 8502,2'-Thiobis(4-chloro-6-methylphenol)4418-66-0EINECS 224-582-2HSDB 6438Q9R857FD35O-Cresol, 6,6'-thiobis(4-chloro-EPA Pesticide Chemical Code 064208BRN 3382921PHENOL, 2,2'-THIOBIS(4-CHLORO-6-METHYL)-
이름 더 보기
3-06-00-04494 (Beilstein Handbook Reference)2,2'-Thiobis[4-chloro-6-methylphenol]O-CRESOL, 6,6'-THIOBIS[4-CHLORO-Caswell No 850RefChem:8606896,6'Thiobis(4chloroocresol)oCresol, 6,6'thiobis(4chloroDTXCID9021768
데이터베이스 식별자
- CAS
4418-66-0- PubChem CID
- 20468
- UNII
- Q9R857FD35
- EC Number
- 224-582-2
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 65.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
PolymersOther Classes -> Halogenated Polyaromatics
Boiling Point443 °C @760 [mm Hg]
Melting Point347 °F (EPA, 1998)
Vapor Pressure0.0000001 [mm Hg] @25 °C
Physical Description
Phenol, 2,2'-thiobis-4-chloro-6-methyl- is a solid. (EPA, 1998)
Solid; [CAMEO]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsWhen heated to decomposition it emits very toxic fumes of sulfur oxides and chlorine containing compounds. (EPA, 1998)
Health HazardsThis compound is highly toxic by ingestion. (EPA, 1998)
Hazards SummarySee CHLOROPHENOLS and Phenol. [HSDB] Highly toxic by ingestion; [CAMEO]
Reactive GroupSulfides, Organic
Reactivity Profile
PHENOL, 2,2'-THIOBIS-4-CHLORO-6-METHYL- is a halogenated organosulfide and phenol. 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 gas. Heat is also generated by the acid-base reaction with bases.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
안전 및 보호
First AidWarning: Effects may be delayed. Caution is advised. Vital signs should be monitored closely.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
화학 및 산업
용도 및 제조
UsesAn agricultural chemical; [RTECS]
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