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ビス(2-ベンズアミドフェニル) ジスルフィド
ビス(2-ベンズアミドフェニル) ジスルフィド · ペプトン22 · 2,2'-ジ(ベンツアミド)ジフェニルジスルフィド · 2,2'-ジベンズアミドジフェニルジスルフィド · N,N'-[ジチオビス(o-フェニレン)]ビス(ベンズアミド) · N,N'-[ジチオビス(2,1-フェニレン)]ビス(ベンズアミド) · ペプタジンBAFD · ビス(2-ベンゾイルアミノフェニル)ペルスルフィド
識別子と物理属性
| CAS No. | 135-57-9 |
|---|---|
| 分子式 | C26H20N2O2S2 |
| 平均分子量 | 456.6 g/mol |
| 単同位体質量 | 456.09661988 g/mol |
| SMILES | O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1 |
| InChIKey | ZHMIOPLMFZVSHY-UHFFFAOYSA-N |
| PubChem CID | 67271 |
| ChEMBL | CHEMBL118148 |
| EC No. | 205-201-9 |
| DTXSID | DTXSID7041629 |
| 現地名 | ビス(2-ベンズアミドフェニル) ジスルフィド |
化学・物理的性質
| XLogP | 5.7 |
|---|---|
| 極性表面積 | 109 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 7 |
| 重原子数 | 32 |
| 形式電荷 | 0 |
| 複雑度 | 553 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderOther SolidLarge Crystals |
| Collision Cross Section | 194.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID7041629] |
| 融点 | 143-146°C |
| 沸点 | 489.8±30.0 °C(Predicted) |
| 密度 | 1.1875 (rough estimate) |
| 蒸気圧 | 0Pa at 25℃ |
| 屈折率 | 1.6360 (estimate) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | クロロホルム（わずかに）、メタノール（わずかに、超音波処理）48μg/L at 20℃ |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 12.54±0.70(Predicted) |
| 色 | 薄緑～薄緑 |
| BRN | 721443 |
| LogP（分配係数） | 4 at 20℃ |
| CAS データベース | 135-57-9(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- (135-57-9) |
安全性と法規制
| GHS 分類 | WarningH317 (96.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: N,N'-dithiodi-o-phenylenedibenzamide (EC: 205-201-9)Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-: 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. |
| Hazard Classes and Categories | Skin Sens. 1B (96.2%) |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CV8700000 |
| 毒性 | eye-rbt 500 mg/24H MLD 85JCAE -,1007,86 |
| 税関コード | 2930.90.2900 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (3)-2986 |
| 安全措置（S） | 26-36/37/39 |
用途
使用
2,2''-Dithiobisbenzanilide has biological applications. It has been used as peptizing agent for rubber.