Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
O,O'-디벤즈아미드디페닐 디설파이드
O,O'-디벤즈아미드디페닐디설파이드 · 2,2'-디티오비스벤자닐리드 · pepton22 · peptisant1o · peptazinbafd · Peptisant-10 · PD-1/PD-L1-IN-58 · 2,2'-Dithiobisbenzan
식별자 및 물리적 특성
| CAS No. | 135-57-9 |
|---|---|
| 분자식 | C26H20N2O2S2 |
| 평균 분자량 | 456.6 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | O,O'-디벤즈아미드디페닐 디설파이드 |
화학 및 물리적 성질
| XLogP | 5.7 |
|---|---|
| 극성 표면적 | 109 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 32 |
| 형식 전하 | 0 |
| 복잡도 | 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] |
| 녹는점 | 143-146°C |
| 끓는 점 | 489.8±30.0 °C(Predicted) |
| 밀도 | 1.1875 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6360 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 12.54±0.70(Predicted) |
| 색상 | 옅은 녹색에서 밝은 녹색까지 |
| 용해도 | 48μg/L at 20℃ |
| BRN | 721443 |
| LogP(분배 계수) | 4 at 20℃ |
| EPA | Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- (135-57-9) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 등재 상태 | TSCA listed |
| RTECS 번호 | CV8700000 |
| 독성 | eye-rbt 500 mg/24H MLD 85JCAE -,1007,86 |
| 관세 코드 | 2930.90.2900 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39 |
| 기존화학 물질 | KE-12735 |
용도
용도
2,2''-Dithiobisbenzanilide has biological applications. It has been used as peptizing agent for rubber.