4-(트리플루오로메톡시)벤즈알데히드
4-(트리플루오로메톡시)벤즈알데히드 · uoromethoxy)benzaL · Pretomanid Impurity 3 · α,α,α-trifluoroanisaldehyde · 4-trifluoromethoxylbenzaldehyde · -(Trifluoromethoxy)benzaldehyde · On trifluoroMethoxy benzaldehyde · P-(TRIFLUOROMETHOXY)BENZALDEHYDE
식별자 및 물리적 특성
| CAS No. | 659-28-9 |
|---|---|
| 분자식 | C8H5F3O2 |
| 평균 분자량 | 190.12 g/mol |
| 단동위원소 질량 | 190.02416406 g/mol |
| SMILES | O=Cc1ccc(OC(F)(F)F)cc1 |
| InChIKey | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| PubChem CID | 69573 |
| ChEMBL | CHEMBL4545827 |
| EC No. | 211-531-4 |
| DTXSID | DTXSID60216105 |
| 현지명 | 4-(트리플루오로메톡시)벤즈알데히드 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 171 |
| SpringerMaterials Properties | Chemical shift |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 93 °C27 mm Hg(lit.) |
| 밀도 | 1.331 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.458(lit.) |
| 인화점 | 159 °F |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| 비중 | 1.331 |
| 색상 | 무색투명~엷은 황록색 |
| BRN | 1949135 |
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OC(F)(F)F)C=C1 |
| NIST | Benzaldehyde, 4-(trifluoromethoxy)-(659-28-9) |
화학적 성질
clear colorless to pale yellow-green liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 36/37/38-36/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36/37/39-37/39 |
| 위험 등급 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:new azo dyes containing of 5(4H)-oxazolone ring2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole(E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.
일반 설명
4-(Trifluoromethoxy)benzaldehyde (p-(trifluoromethoxy)benzaldehyde) is an aromatic aldehyde. It participates in the synthesis of 4,5-dihydro-4-(4-trifluoromethoxyphenyl)pyrrolo[1,2-a]quinoxaline.