Pyridazine
diazine · Pyridazin · PYRENE-1-CARBALDEHYDE · 1,2-DIAZINE · OIZINE · Orizine · o-diazine · yridazine
식별자 및 물리적 특성
| CAS No. | 289-80-5 |
|---|---|
| 분자식 | C4H4N2 |
| 평균 분자량 | 80.09 g/mol |
| 단동위원소 질량 | 80.03744813 g/mol |
| SMILES | c1ccnnc1 |
| InChIKey | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| PubChem CID | 9259 |
| ChEMBL | CHEMBL15719 |
| ChEBI | CHEBI:30954 |
| EC No. | 206-025-5 |
| DTXSID | DTXSID7059777 |
화학 및 물리적 성질
| XLogP | -0.7 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 30.5 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | -0.15 |
| Ionization Efficiency | Positive2.22.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| 녹는점 | -8 °C (lit.) |
| 끓는 점 | 208 °C (lit.) |
| 밀도 | 1.103 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.524(lit.) |
| 인화점 | 185 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 2.24(at 20℃) |
| 물리적 상태 | 액체 |
| 색상 | 맑은 황갈색 |
| 용해도 | 혼용 가능 |
| Merck | 14,7969 |
| BRN | 103906 |
| InChI | 1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H |
| InChIKey | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| SMILES | c1ccnnc1 |
| NIST | Pyridazine(289-80-5) |
| EPA | Pyridazine (289-80-5) |
화학적 성질
Pyridazine is a nitrogen-containing six-membered heterocyclic compound belonging to the azine class, being an isomer of pyrimidine and pyrazine. It exists as a clear yellowish-brown liquid, insoluble in petroleum ether but readily soluble in methanol, ethanol, and diethyl ether. It is miscible with water, benzene, and dimethylformamide. Pyridazine is a weak base capable of forming salts with picric acid, hydrochloric acid, and similar compounds. It exhibits limited reactivity towards aromatic nucleophilic and electrophilic substitution reactions and demonstrates stability towards potassium permanganate. Reduction with sodium or alcohols cleaves the chain, converting it into 1,4-diaminobutane.
안전 및 규제
| GHS 분류 | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UR5267000 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 독성 | LD50 ipr-mus: 2650 mg/kg PBPHAW 1,542,65 |
| 관세 코드 | 29339980 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-24/25 |
| F 고인화성물질 | 8-10 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Pyrrolo[1,2-b]pyridazine 1 is a N-bridgehead aromatic heterocycle containing two nitrogen atoms, is obtained by the condensation of pyridazine and pyrrole.
일반 설명
Pyridazine is a mono-basic 1,2-diazine compound, which is commonly prepared by the reaction of 1,4-dicarbonyls with hydrazines. Pyridazine ring is found in many herbicides like credazine, pyridatol and many pharmaceutical drugs like cefozopran, olaparib, talazoparib, and cadralazine.
제조 및 합성 방법
제조 방법
Pyridazine is obtained by the condensation of butenedial and hydrazine.