Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Chloropyrimidine
2-Chloro · chloropyrimidine · 2-chloro-pyrimidin · 2CPY X HCL · 2-chloropyrimide · 2-Chlorpyrimidin · 2-choropyrimidine · 2-CHLOROPYRIMIDINE
식별자 및 물리적 특성
| CAS No. | 1722-12-9 |
|---|---|
| 분자식 | C4H3ClN2 |
| 평균 분자량 | 114.53 g/mol |
| 단동위원소 질량 | 113.9984758 g/mol |
| SMILES | Clc1ncccn1 |
| InChIKey | UNCQVRBWJWWJBF-UHFFFAOYSA-N |
| PubChem CID | 74404 |
| ChEMBL | CHEMBL5433017 |
| EC No. | 217-020-2 |
| DTXSID | DTXSID70169214 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 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 | 51 |
| 증기압 | 2.48 [mmHg] |
| Physical Description | Light yellow hygroscopic solid[Sigma-Aldrich MSDS] |
| 녹는점 | 63-66 °C (lit.) |
| 끓는 점 | 75-76 °C/10 mmHg (lit.) |
| 밀도 | 1.2710 (rough estimate) |
| 굴절률 | 1.5320 (estimate) |
| 인화점 | 98 °C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 에 용해됨메탄올, 물 |
| pKa(산도 계수) | -1.46±0.13(Predicted) |
| 물리적 상태 | 결정 또는 결정성 분말 |
| 색상 | 노란색에서 연한 주황색까지 |
| 용해도 | 물에 약간 용해됩니다. 33.3mg은 알코올 1mL에 용해됩니다. |
| BRN | 107171 |
| InChI | 1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H |
| InChIKey | UNCQVRBWJWWJBF-UHFFFAOYSA-N |
| SMILES | Clc1ncccn1 |
| NIST | Pyrimidine, 2-chloro-(1722-12-9) |
화학적 성질
yellowish to pale orange crystals or cryst. powder
안전 및 규제
| GHS 분류 | DangerH301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (16.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 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 | Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22128 |
| 유해성 요약 | A skin, respiratory tract, and severe eye irritantToxic by ingestionOral LD50 (rat) = 200-2,000 mg/kg[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (85.7%)Skin Irrit. 2 (12.5%)Skin Sens. 1 (16.1%)Eye Irrit. 2 (91.1%)STOT SE 3 (12.5%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-36-36/38-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-37/39-36 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralEye Irrit. 2 |
| F 고인화성물질 | 10-23 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
일반 설명
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.