Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4/4'-디메톡시트리틸염화물
4/4'-디메톡시트리틸염화물 · DMTrCl · DMT-CL · 4,4'-(Chloro(phenyl)Methylene)bis(Methoxybenzene) · 4,4-DIMETHOXYTRITYL CHLORIDE · Dime · Dimethoxy Trityl Chloride · DMTRT-CL
식별자 및 물리적 특성
| CAS No. | 40615-36-9 |
|---|---|
| 분자식 | C21H19ClO2 |
| 평균 분자량 | 338.8 g/mol |
| 단동위원소 질량 | 338.10735753 g/mol |
| SMILES | COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 |
| InChIKey | JBWYRBLDOOOJEU-UHFFFAOYSA-N |
| PubChem CID | 96831 |
| EC No. | 255-002-6 |
| DTXSID | DTXSID50193618 |
| 현지명 | 4/4'-디메톡시트리틸염화물 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 340 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 123-125 °C |
| 끓는 점 | 455.07°C (rough estimate) |
| 밀도 | 1.0887 (rough estimate) |
| 증기압 | 0Pa at 20℃ |
| 굴절률 | 1.5330 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 가루 |
| 색상 | 분홍색 |
| 용해도 | 클로로포름과 메탄올에 용해됩니다. 물에 부분적으로 용해됨 |
| BRN | 2471942 |
| 안정성 | 흡습성, 수분 민감성 |
| InChI | 1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3 |
| InChIKey | JBWYRBLDOOOJEU-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccc(OC)cc3 |
| LogP(분배 계수) | 5.74 at 20℃ |
| NIST | Methane, chlorobis(p-methoxyphenyl)phenyl-(40615-36-9) |
화학적 성질
4,4'-Dimethoxytrityl chloride is pink powder
안전 및 규제
| GHS 분류 | DangerH314 (44.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 18 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-Hazard Traits - BioaccumulationEnvironmental PersistenceStatus: Active Update: 14-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24036Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Corr. 1 (44.4%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 3261 |
| 독성 | A hallucinogenic (psychedelic) agent that may catalyze the onset of emotional problems or psychosis in predisposed individuals. DMT is perhaps one of the least studied of the hallucinogens. It causes perceptual alterations and illusions, including changes in touch, taste, and odor. The thinking process is substantially alteredthere are hallucinations and loss of contact with reality. There have been no overdose deaths attributed to the direct effects of DMT. The drug is very short-acting, with a duration of effect of about half an hour or less. |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 36/37/38-34 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26-36-45-36/37/39 |
용도
용도
4,4'-Dimethoxytrityl chloride is used as a protective reagent for oligonucleotide synthesis. It is used for selective protection and deprotection procedures for thiol and hydroxy groups in nucleoside derivatives.