Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2,2-트리클로로에틸클로로포메이트
2,2,2-트리클로로에틸클로로포메이트 · Troc-Cl · 2,2,2-trichloroethyl carbonochloridate · Trichloroethyl chloroformate · trichloroethoxycarbonyl chloride · 2,2,2-Trichloroethyl · trichloroethylchloroformate · (Trichloroethoxy)chloroformate
식별자 및 물리적 특성
| CAS No. | 17341-93-4 |
|---|---|
| 분자식 | C3H2Cl4O2 |
| 평균 분자량 | 211.9 g/mol |
| 단동위원소 질량 | 209.88089002 g/mol |
| SMILES | O=C(Cl)OCC(Cl)(Cl)Cl |
| InChIKey | LJCZNYWLQZZIOS-UHFFFAOYSA-N |
| PubChem CID | 87063 |
| EC No. | 241-363-7 |
| DTXSID | DTXSID3066188 |
| 현지명 | 2,2,2-트리클로로에틸클로로포메이트 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 107 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 증기압 | 3.1 [mmHg]0.06 psi ( 20 °C) |
| Physical Description | Light yellow liquid[Sigma-Aldrich MSDS] |
| 녹는점 | 1°C |
| 끓는 점 | 171-172 °C (lit.) |
| 밀도 | 1.539 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.471(lit.) |
| 인화점 | >100°C |
| 저장 조건 | 2-8°C |
| 용해도 | soluble in Chloroform, Ethyl Acetate |
| 물리적 상태 | 액체 |
| 색상 | 맑은 연한 노란색 |
| 용해도 | 에테르, 벤젠, 클로로포름, 에탄올에 용해됩니다. 물에 불용성. |
| BRN | 970619 |
| InChI | 1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2 |
| InChIKey | LJCZNYWLQZZIOS-UHFFFAOYSA-N |
| SMILES | ClC(=O)OCC(Cl)(Cl)Cl |
| NIST | Carbonochloridic acid, 2,2,2-trichloroethyl ester(17341-93-4) |
| EPA | Carbonochloridic acid, 2,2,2-trichloroethyl ester (17341-93-4) |
화학적 성질
Clear light yellow liquid
안전 및 규제
| GHS 분류 | DangerH302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Carbonochloridic acid, 2,2,2-trichloroethyl esterCarbonochloridic acid, 2,2,2-trichloroethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tractToxic by inhalation[Sigma-Aldrich MSDS] See CHLOROFORMATES. |
| Hazard Classes and Categories | Acute Tox. 4 (17%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3277 6.1/PG 2 |
| 관세 코드 | 29159000 |
| 위험 문구(R) | 23-34-36 |
| 위험 표시 | T |
| 안전 문구(S) | 26-36/37/39-45-7/9 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 3 InhalationEye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-05693 |
| F 고인화성물질 | 10-19 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
2,2,2-Trichloroethyl chloroformate is used as a protecting reagent for aliphatic and aromatic hydroxyl and amino groups. It is used as derivatizing reagent in gas chromatographic/mass spectrometric determination of a large range of amphetamine-related drugs and ephedrines in plasma, urine and hair samples, during N-demethylation of dextromethorphan. It was used as starting reagent during the synthesis of 6-Nor-9,10-dihydrolysergic acid methyl ester.