o-Fluorobenzaldehyde
Fluorobenzaldehyde1 · O-FLUOROBENZALDEHYDE · AKOS BBS-00003150 · 2-Fluorbenzaldehyd · 2-FLUOROBENZALDHYDE · 2-FLUOROBENZALDEHYDE · 2-fluoro-benzaldehyd · 2-Fluorobenzaldethyde
식별자 및 물리적 특성
| CAS No. | 446-52-6 |
|---|---|
| 분자식 | C7H5FO |
| 평균 분자량 | 124.11 g/mol |
| 단동위원소 질량 | 124.03244294 g/mol |
| SMILES | O=Cc1ccccc1F |
| InChIKey | ZWDVQMVZZYIAHO-UHFFFAOYSA-N |
| PubChem CID | 67970 |
| ChEMBL | CHEMBL4084647 |
| EC No. | 207-171-2 |
| DTXSID | DTXSID8022030 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| Kovats Retention Index | 941.5947.3931 |
| 녹는점 | −44.5 °C(lit.) |
| 끓는 점 | 90-91 °C46 mm Hg(lit.) |
| 밀도 | 1.178 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.521(lit.) |
| 인화점 | 131 °F |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 투명한 무색~연한 갈색 |
| 비중 | 1.178 |
| 용해도 | 불용성 |
| BRN | 507155 |
| InChI | 1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
| InChIKey | ZWDVQMVZZYIAHO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccccc1F |
| NIST | Benzaldehyde, 2-fluoro-(446-52-6) |
화학적 성질
clear colorless to light brown liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 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. |
|---|---|
| 규제 정보 | 2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (98.1%)STOT SE 3 (96.2%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | CU6140000 |
| 운송 번호(UN) | UN 1989 3/PG 3 |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 10-36/37/38-22 |
| 위험 표시 | Xi,F,Xn |
| 안전 문구(S) | 16-26-36-37/39 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 4 OralFlam. Liq. 3Skin Irrit. 2 |
용도
용도
2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.