3-Methylisonicotinonitrile

3-methylisonicotinonitrile · Einecs 231-491-1 · 4-Cyano-3-picoline · 4-Cyano-3-methylpyridine · 3-Methyl-4-cyanopyridine · 3-Methyl-4-pyridinecarbonitrile · 3-Methylpyridine-4-carbonitrile · 4-Pyridinecarbonitrile,3-Methyl-

https://huagongshe.com/ko/chemical/82063

식별자 및 물리적 특성

CAS No.	7584-05-6
분자식	C7H6N2
평균 분자량	118.14 g/mol
단동위원소 질량	118.05309819 g/mol
SMILES	Cc1cnccc1C#N
InChIKey	SFNWPKSTEHBXSY-UHFFFAOYSA-N
PubChem CID	82063
EC No.	231-491-1
DTXSID	DTXSID50226733

화학 및 물리적 성질

XLogP	0.9
극성 표면적	36.7
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	133
녹는점	51-52℃
끓는 점	223℃
밀도	1.08
인화점	90℃
저장 조건	Inert atmosphere,Room Temperature
pKa(산도 계수)	2.17±0.18(Predicted)

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
관세 코드	2933399990

용도

4-Cyano-3-methylpyridine is an intermediate used to synthesis of azaindenoisoquinoline as topoisomerase I inhibitors and potential anticancer agents.