Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-FLUORO-3-(트리플루오로메틸)벤질아민
4-FLUORO-3-(트리플루오로메틸)벤질아민 · RARECHEM AL BW 0670 · 3-TRIFLUOROMETHYL-4-FLUOROBENZYLAMINE · 4-Fluoro-3-(trifluoromethyl)benzylamine · 5-(Aminomethyl)-2-fluorobenzotrifluoride · 4-Fluoro-3-(trifluoromethyl)benzylamine97% · 4-Fluoro-3-(trifluoromethyl)benzylamine 97% · [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine
식별자 및 물리적 특성
| CAS No. | 67515-74-6 |
|---|---|
| 분자식 | C8H7F4N |
| 평균 분자량 | 193.14 g/mol |
| 단동위원소 질량 | 193.05146188 g/mol |
| SMILES | NCc1ccc(F)c(C(F)(F)F)c1 |
| InChIKey | HZDVQEUISWBXPV-UHFFFAOYSA-N |
| PubChem CID | 522270 |
| EC No. | 671-097-0 |
| DTXSID | DTXSID70334905 |
| 현지명 | 4-FLUORO-3-(트리플루오로메틸)벤질아민 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 168 |
| 끓는 점 | 101°C 3mm |
| 밀도 | 1.312 |
| 굴절률 | 1.456 |
| 인화점 | 101°C/3mm |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| pKa(산도 계수) | 8+-.0.10(Predicted) |
| 물리적 상태 | solid |
| BRN | 3083164 |
| InChI | 1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2 |
| InChIKey | HZDVQEUISWBXPV-UHFFFAOYSA-N |
| SMILES | NCc1ccc(F)c(c1)C(F)(F)F |
화학적 성질
clear slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%)STOT SE 3 (16.7%) |
| 수질 위해 등급(WGK) | WGK 3 |
| 운송 번호(UN) | 2735 |
| 관세 코드 | 2921490090 |
| 위험 문구(R) | 34 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 위험 참고 사항 | Corrosive/Store under nitrogen |
| 저장 분류 | 11 - Combustible Solids |