Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
플로로벤질아민
플로로벤질(4-)아민4-FLUOROBENZYLAMINE · 플로로벤질아민 · 4-플루오로벤질아민 · (4-Fluorophenyl)methanamine · P-FLUOROBENZYLAMINE · Benzylamine, p-fluoro- · NSC 158269 · AURORA KA-7685
식별자 및 물리적 특성
| CAS No. | 140-75-0 |
|---|---|
| 분자식 | C7H8FN |
| 평균 분자량 | 125.14 g/mol |
| 단동위원소 질량 | 125.06407748 g/mol |
| SMILES | NCc1ccc(F)cc1 |
| InChIKey | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| PubChem CID | 67326 |
| ChEMBL | CHEMBL12392 |
| EC No. | 205-430-4 |
| DTXSID | DTXSID7059698 |
| 현지명 | 플로로벤질아민 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 77 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Colorless or pale yellow liquid with an amine-like odor[Alfa Aesar MSDS] |
| 녹는점 | 183 °C |
| 끓는 점 | 183 °C (lit.) |
| 밀도 | 1.095 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.512(lit.) |
| 인화점 | 152 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| pKa(산도 계수) | 9.01±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 비중 | 1.101.095 |
| 색상 | 무색투명~연황색 |
| 용해도 | 물에 용해됩니다. |
| BRN | 636501 |
| InChI | 1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| SMILES | NCc1ccc(F)cc1 |
| NIST | Benzenemethanamine, 4-fluoro-(140-75-0) |
| EPA | Benzenemethanamine, 4-fluoro- (140-75-0) |
화학적 성질
Colorless to light yellow liquid.
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/179474-Fluorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See 4-Chlorobenzylamine. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2735 8/PG 2 |
| 관세 코드 | 29214980 |
| 위험 문구(R) | 34-20/21/22 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-27-36/37/39-45-36/39 |
| 포장분류 | III |
| 위험 등급 | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1B |
| F 고인화성물질 | 10-34 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Fluorobenzylamine is used as a potassium channel blocking agent. It is used in the synthesis of new tris-iron(III) chelates of 3-hydroxy-4-pyridinone ligands. It reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate2. It is an important building block for the synthesis of 18F-labeled compounds.
일반 설명
[18F]4-fluorobenzylamine reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate. It is an important building block for the synthesis of 18F-labeled compounds.