기본 정보
- CAS
1120-88-3- 표준 SMILES
Cc1ccnnc1- InChIKey
AIKUBOPKWKZULG-UHFFFAOYSA-N- 분자식
- C5H6N2
- 평균 분자량
- 94.11 g/mol
- 단동위원소 질량
- 94.0530982
이름 및 식별자
- 우선 이름
- 4-Methylpyridazine
- IUPAC
- 4-methylpyridazine
- 영어명
- 4-Methylpyridazine
- 분자식
- C5H6N2
- 분자량
- 94.11
이름 및 동의어
4-Methylpyridazine1120-88-3DTXSID90149811NSC 514234RefChem:99937DTXCID0072302620-972-5AIKUBOPKWKZULG-UHFFFAOYSA-NInChI=1/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1Hpyridazine, 4-methyl-4-Methyl pyridazineMFCD00011594
이름 더 보기
4-Methylpyridazin-3-aMine4-Methy Pyridazine4-METHYLPYRADIZINE4-Methyl-1,2-diazine4-Methylpyridazine>Pyridazine, 4-Methyl-4-METHYLPYRIDAZINE 97%4-Methylpyridazine,97%4-Methylpyridazine ISO 9001：2015 REACH
NSC5142344-Methylpyridazine, 97%SCHEMBL128300SCHEMBL128301SCHEMBL277451SCHEMBL277660SCHEMBL353606SCHEMBL30517328
데이터베이스 식별자
- CAS
1120-88-3- PubChem CID
- 136882
- DTXSID
DTXSID90149811- EC Number
- 620-972-5
- Nikkaji
- J151.451B
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 54
실험 및 물리화학적 성질
LogP-0.32
물리화학적 성질
- 끓는 점
- 98 · 98-100 °C/11 mmHg (lit.)
- 밀도
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.521(lit.)
- 인화점
- 222 °F · 222 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 3.74 · 3.74±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- Specific Gravity
- 1.06 · 1.060
- BRN
- 105689 · 105689
- InChI
- InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3
- InChIKey
- AIKUBOPKWKZULG-UHFFFAOYSA-N
- SMILES
- C1=NN=CC=C1C
화학적 성질
Clear yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도4-Methylpyridazine was used in the preparation of series of novel pyridazine derivatives structurally related to bipyridine cardiotonics.
일반 설명Products of reaction of methyl iodide with 4-methylpyridazine has been investigated by NMR spectra. Solvent free oxidation of 4-methylpyridazine by acetyl peroxyborate, peracetic acid and hydrogen peroxide has been reported.
상·하류 제품 정보
하류 제품
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