4-Methylpyrimidine
4-MP · 4-Methlpyrimidine · 6-METHYLPYRIMIDINE · 4-METHYLPYRIMIDINE · 4-methyl-pyrimidin · 4-Methyl-1,3-diazine · Pyrimidine,4-methyl- · 4-Methylpyrimidine>4-Methylpyrimidine,98%
식별자 및 물리적 특성
| CAS No. | 3438-46-8 |
|---|---|
| 분자식 | C5H6N2 |
| 평균 분자량 | 94.11 g/mol |
| 단동위원소 질량 | 94.0530982 g/mol |
| SMILES | Cc1ccncn1 |
| InChIKey | LVILGAOSPDLNRM-UHFFFAOYSA-N |
| PubChem CID | 18922 |
| EC No. | 222-344-2 |
| DTXSID | DTXSID5063027 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 54 |
| 증기압 | 4.63 [mmHg] |
| Physical Description | Colorless liquid with an amine-like odor[Evonik MSDS] |
| Kovats Retention Index | 8198278531328 |
| 녹는점 | 32°C |
| 끓는 점 | 141-142 °C (lit.) |
| 밀도 | 1.031 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.496(lit.) |
| 인화점 | 105 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름, 메탄올에 용해됨 |
| pKa(산도 계수) | 2.02±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 용해도 | 혼용 가능 |
| BRN | 105781 |
| InChI | 1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3 |
| InChIKey | LVILGAOSPDLNRM-UHFFFAOYSA-N |
| SMILES | Cc1ccncn1 |
| NIST | Pyrimidine, 4-methyl-(3438-46-8) |
| EPA | Pyrimidine, 4-methyl- (3438-46-8) |
화학적 성질
Light Yellow Oil
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.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 | 4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | See Pyrimidine. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 10-61 |
| 위험 표시 | T,F,Xi |
| 안전 문구(S) | 16-53-45 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
4-Methylpyrimidine was used in the synthesis of crystalline trans-[RuCl(3)(NO)L(2)] complexes. 4-Methylpyrimidine was also used to bridge dinuclear oxovanadium(IV) complexes.
일반 설명
4-Methylpyrimidine is a fundamental nitrogen-containing aromatic heterocyclic scaffold unit, with only one methyl group (-CH₃) in its molecular structure. It can be used as a pharmaceutical intermediate in the preparation of potentially active anti-infective or anti-tumour compounds. Furthermore, it can also be utilised in the preparation of various heterocyclic compounds, such as pesticides and OLED materials.