기본 정보
- 표준 SMILES
c1ccnnc1- InChIKey
PBMFSQRYOILNGV-UHFFFAOYSA-N- 분자식
- C4H4N2
- 평균 분자량
- 80.09 g/mol
- 단동위원소 질량
- 80.03744813
개요
Pyridazine is a member of pyridazines and a diazine.
이름 및 식별자
- 우선 이름
- Pyridazine
- IUPAC
- pyridazine
- 영어명
- Pyridazine
- 분자식
- C4H4N2
- 분자량
- 80.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
289-80-5- PubChem CID
- 9259
- DTXSID
DTXSID7059777- ChEMBL
CHEMBL15719- ChEBI
CHEBI:30954- UNII
- 449GLA0653
- EC Number
- 206-025-5
- Nikkaji
- J2.567D
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 25.8 Ų
- 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
실험 및 물리화학적 성질
Ionization Efficiency
Positive
2.2
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
물리화학적 성질
- 녹는점
- -8 °C · -8 °C (lit.)
- 끓는 점
- 208 °C · 208 °C (lit.)
- 밀도
- 1.103 g/mL · 1.103 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.524(lit.)
- 인화점
- 185 °F · 185 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 산도 계수 (pKa)
- 2.24 · 2.24(at 20℃)
- 물리적 상태
- 액체
- 색상
- 맑은 황갈색
- 수용성
- 혼용 가능
- Merck
- 14 · 14,7969
- BRN
- 103906 · 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
GHS Classification
Warning
H302 (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.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UR5267000
- ridadr
- NA 1993 / PGIII
- 독성
- LD50 ipr-mus: 2650 mg/kg PBPHAW 1,542,65
- HS 번호
- 29339980
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 23-24/25
- F 고인화성물질
- 8-10
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도Pyrrolo[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 설명Pyridazine 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 방법
Pyridazine is obtained by the condensation of butenedial and hydrazine.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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