基本情報
- CAS
4418-66-0- 標準SMILES
Cc1cc(Cl)cc(O)c1Sc1c(C)cc(Cl)cc1O- InChIKey
HQRDNJVKXWYKAR-UHFFFAOYSA-N- 分子式
- [H3CC6H2(Cl)(OH)]2S
- 平均分子量
- 315.2 g/mol
- 単同位体質量
- 313.9935062
概要
Phenol, 2,2'-thiobis-4-chloro-6-methyl- is a solid. (EPA, 1998)
名称と識別子
- 優先名称
- Phenol, 2,2'-thiobis(4-chloro-6-methyl)-
- IUPAC
- 5-chloro-2-(4-chloro-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
名称と別名
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)-
名称をさらに表示
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
データベース識別子
- CAS
4418-66-0- PubChem CID
- 20468
- UNII
- Q9R857FD35
- EC Number
- 224-582-2
物性
構造計算による物性
- XLogP
- 5.3
- 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
- 19
- 形式電荷
- 0
- 複雑度
- 277
実験および物理化学的性質
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]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
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.
安全と保護具
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.
化学と産業
用途と製造
UsesAn agricultural chemical; [RTECS]
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