Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,3′-디시오 디프로피오닉 산
3,3′-디시오디프로피오닉산 · 3,3'-다이티오프로피온산 · DTDPA · 3,3'-disulfanediyldipropionic acid · 3,3'-dithiobispropionic acid · 3,3'-disulfanediyldipropanoic acid · NSC 18841 · NSC 677544
식별자 및 물리적 특성
| CAS No. | 1119-62-6 |
|---|---|
| 분자식 | C6H10O4S2 |
| 평균 분자량 | 210.3 g/mol |
| 단동위원소 질량 | 210.00205114 g/mol |
| SMILES | O=C(O)CCSSCCC(=O)O |
| InChIKey | YCLSOMLVSHPPFV-UHFFFAOYSA-N |
| PubChem CID | 95116 |
| ChEMBL | CHEMBL338743 |
| EC No. | 214-284-0 |
| DTXSID | DTXSID0032998 |
| 현지명 | 3,3′-디시오 디프로피오닉 산 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 125 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 142 |
| Physical Description | Powder with a stench[Alfa Aesar MSDS] |
| 녹는점 | 155-158 °C(lit.) |
| 끓는 점 | 319.8°C (rough estimate) |
| 밀도 | 1.319 (estimate) |
| 굴절률 | 1.5220 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 물에 거의 녹지 않음 |
| 용해도 | DMSO(적게), 메탄올(약간)에 용해됨 |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.94±0.10(Predicted) |
| 색상 | 하얀색 |
| BRN | 1778543 |
| InChI | InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| InChIKey | YCLSOMLVSHPPFV-UHFFFAOYSA-N |
| SMILES | S(CCC(O)=O)SCCC(O)=O |
| EPA | Propanoic acid, 3,3'-dithiobis- (1119-62-6) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | WarningH315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 9 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 | Chemical: Propanoic acid, 3,3'-dithiobis-Propanoic acid, 3,3'-dithiobis-: 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. |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (98.2%)Eye Irrit. 2 (98.2%)STOT SE 3 (96.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 1759 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
용도
용도
Highly reactive species.
일반 설명
3,3′-Dithiodipropionic acid forms monolayers on a polycrystalline gold electrode through a self-assembly procedure to form gold 3,3′-dithiodipropionic acid self-assembled monolayer modified electrode. It is the precursor substrate in the synthesis of 3-mercaptopropionic acid-containing polythioesters. It is added as primary carbon supplement in the culture medium of novel betaproteobacterium, strain DPN7.