Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,6-디클로로피리다진
3,6-디클로로피리다진 · 3,6-dichlorpyridazine · 3,6-DichL · AURORA KA-6560 · IFLAB-BB F1918-0076 · 6-Dichloropyridazine · 3,6-Dichloropyridazi · 3,6-Dichloro Pyridine
식별자 및 물리적 특성
| CAS No. | 141-30-0 |
|---|---|
| 분자식 | C4H2Cl2N2 |
| 평균 분자량 | 148.98 g/mol |
| 단동위원소 질량 | 147.95950342 g/mol |
| SMILES | Clc1ccc(Cl)nn1 |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| PubChem CID | 67331 |
| EC No. | 205-478-6 |
| DTXSID | DTXSID4059704 |
| 현지명 | 3,6-디클로로피리다진 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 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 | 68.4 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | 0.93 |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| 녹는점 | 65-69 °C (lit.) |
| 끓는 점 | 244.21°C (rough estimate) |
| 밀도 | 1.6445 (rough estimate) |
| 굴절률 | 1.6300 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 0.0012g/L |
| pKa(산도 계수) | -1.18±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 클로로포름에 용해됩니다. 물에 불용성. |
| BRN | 111151 |
| InChI | InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(Cl)C=C1 |
| NIST | Pyridazine, 3,6-dichloro-(141-30-0) |
| EPA | Pyridazine, 3,6-dichloro- (141-30-0) |
화학적 성질
off-white to brownish crystalline powder
안전 및 규제
| GHS 분류 | DangerH301 (81%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
|---|---|
| 규제 정보 | Status: Active Update: 05-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32994 |
| 유해성 요약 | Causes somnolence, ataxia, and weight loss in inhalation lethal-concentration studies of ratsCauses somnolence and muscle weakness in oral lethal-dose studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion[Sigma-Aldrich MSDS] See Maleic hydrazide and Pyrazon. |
| Hazard Classes and Categories | Acute Tox. 3 (81%)Specific target organ toxicity - Repeated exposure - Category 2 (liver, kidney, testis) |
| Toxicity Data | LC50 (rat) > 1,070 mg/m3/4hr |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UR5886250 |
| 운송 번호(UN) | 2811 |
| 독성 | rat,LC50,inhalation,> 1070mg/m3/4H (1070mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0543107, |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38-25-20 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 26-37/39-45-22-36/39-36 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 Oral |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3,6-Dichloropyridazine is used as an intermediate in synthetic chemistry, especially in active pharmaceutical ingredients. It is used in the preparation of alfa-(halohetaroyl)-2-azahetarylacetonitriles.