Trichloroacetic anhydride
TCAA · TRICHLOROACETIC ACID ANHYDRIDE · 2,2,2-trichloroacetic anhydride · Trichloroaceticanhyride · PERCHLOROACETIC ANHYDRIDE · TRICHLOROACETIC ANHYDRIDE · TrichloroaceticAnhydride97% · trichloro-aceticacianhydride
식별자 및 물리적 특성
| CAS No. | 4124-31-6 |
|---|---|
| 분자식 | C4Cl6O3 |
| 평균 분자량 | 308.7 g/mol |
| 단동위원소 질량 | 305.79785994 g/mol |
| SMILES | O=C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | MEFKFJOEVLUFAY-UHFFFAOYSA-N |
| PubChem CID | 20079 |
| EC No. | 223-925-3 |
| DTXSID | DTXSID00871055 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 201 |
| 물질 분류 | Other Classes -> Acid Anhydrides, Other |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| 끓는 점 | 139-141 °C/60 mmHg (lit.) |
| 밀도 | 1.69 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.484(lit.) |
| 인화점 | 98-100°C/11mm |
| 용해도 | 에테르 및 아세트산과 혼합 가능. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| BRN | 980355 |
| 유전율 | 5.0 |
| 안정성 | 안정적인. 습기에 민감 - 건조한 환경에 보관하십시오. 강염기, 강산화제와 호환되지 않습니다. |
| InChI | InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10 |
| InChIKey | MEFKFJOEVLUFAY-UHFFFAOYSA-N |
| SMILES | O(C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl |
| EPA | Acetic acid, trichloro-, anhydride (4124-31-6) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | DangerH302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Acetic acid, trichloro-, anhydride: 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 | Hydrolyzed by waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Pentafluoropropionic anhydride. |
| Hazard Classes and Categories | Acute Tox. 4 (88.9%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 2915907098 |
| 위험 문구(R) | 22-35 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8 |
| F 고인화성물질 | 10-21 |
용도
용도
Trichloroacetic Anhydride is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.
일반 설명
Trichloroacetic anhydride is reported to be an efficient derivatization reagent, since it produces stable derivatives having both a higher mass fragmentation pattern and lesser volatility than derivatives of trifluoroacetic anhydride (TFAA) or heptafluorobutyric anhydride (HFBA). The interaction of thymidine 5′-phosphate with trichloroacetic anhydride in dimethylformamide and acetonitrile in the presence of tertiary amines hs been studied.