Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Pyrazine, 2-chloro-3-methyl-
2-Chlor-3-methylpyrazin · 2-Methyl-3-chloropyrazine · 2-CHLORO-3-METHYLPYRAZINE · Pyrazine, 2-chloro-3-methyl- · 2-CHLORO-3,(5),(6)-ETHYLPYRAZINE · 2-CHLORO-3-METHYLPYRAZINE ISO 9001：2015 REACH
식별자 및 물리적 특성
| CAS No. | 95-58-9 |
|---|---|
| 분자식 | C5H5ClN2 |
| 평균 분자량 | 128.56 g/mol |
| 단동위원소 질량 | 128.0141259 g/mol |
| SMILES | Cc1nccnc1Cl |
| InChIKey | WZHWPZQQPWKEAV-UHFFFAOYSA-N |
| PubChem CID | 66769 |
| EC No. | 202-434-8 |
| DTXSID | DTXSID4059124 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 76 |
| Kovats Retention Index | 9511399 |
| 끓는 점 | 80 °C(Press: 27 Torr) |
| 밀도 | 1.234g/ml |
| 굴절률 | 1.5283 |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa(산도 계수) | -0.31±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| InChI | InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3 |
| InChIKey | WZHWPZQQPWKEAV-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CN=C1C |
| LogP(분배 계수) | 1.058 (est) |
| EPA | Pyrazine, 2-chloro-3-methyl- (95-58-9) |
안전 및 규제
| GHS 분류 | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 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. |
|---|---|
| 규제 정보 | Chemical: Pyrazine, 2-chloro-3-methyl- |
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | WGK 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2933119000 |
| 위험 문구(R) | 22-37/38-41 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-39 |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
용도
용도
2-Chloro-3-methylpyrazine is a pyrazine compound in which the chlorine atom in the structure can be replaced for the preparation of other medicinal chemicals. It is used in the preparation of macrocyclic urea kinase inhibitors.