Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸3-아미노-4,4,4-트리플루오로크로토네이트
에틸3-아미노-4,4,4-트리플루오로크로토네이트 · Ethyl 3-amino-4,4,4-trifluorocrotote · Ethyl 3-amino-4 · trifluorocrotonate · 4-trifluorocrotonate · ETHYL 3-AMINO-4,4,4-TRIFLUOROCROTONATE · ethyl 3-amino-4,4,4-trifluro crotonate · 3-Amino-4,4,4-trifluorobutenoate ethyl
식별자 및 물리적 특성
| CAS No. | 372-29-2 |
|---|---|
| 분자식 | C6H8F3NO2 |
| 평균 분자량 | 183.13 g/mol |
| 단동위원소 질량 | 183.05071316 g/mol |
| SMILES | CCOC(=O)C=C(N)C(F)(F)F |
| InChIKey | NXVKRKUGIINGHD-UHFFFAOYSA-N |
| PubChem CID | 136209 |
| EC No. | 609-360-9 |
| DTXSID | DTXSID001270040 |
| 현지명 | 에틸3-아미노-4,4,4-트리플루오로크로토네이트 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 52.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 197 |
| Physical Description | Liquid |
| 녹는점 | 26°C |
| 끓는 점 | 83 °C15 mm Hg(lit.) |
| 밀도 | 1.245 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.424(lit.) |
| 인화점 | 149 °F |
| 저장 조건 | 2-8°C(protect from light) |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 무색~담황색 저융점~반고체 |
| pKa(산도 계수) | 0.76±0.70(Predicted) |
| 색상 | White or Colorless to Light yellow |
| BRN | 4397839 |
| InChI | 1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3 |
| InChIKey | NXVKRKUGIINGHD-ONEGZZNKSA-N |
| SMILES | CCOC(=O)C=C(N)C(F)(F)F |
화학적 성질
Colourless liquid or white solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.DangerH302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (88.1%)Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 3259 |
| 관세 코드 | 29224999 |
| 위험 문구(R) | 20/21/22-36/37 |
| 위험 표시 | Xn,T,Xi |
| 안전 문구(S) | 26-36-36/37 |
| 위험 등급 | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Toxic/Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Ethyl 3-amino-4,4,4-trifluorocrotonate is used as building block in chemical synthesis. Attributes Development Product Contact