Methyl 5-cyanopyridine-2-carboxylate

Methyl 5-cyanopicolinate · Methyl 5-cyano-2-pyridinecarboxylate · Methyl 5-cyanopyridine-2-carboxylate · 5-Cyano-2-Pyridinecarboxylic Acid Methyl Ester · 5-Cyano-pyridine-2-carboxylic acid methyl ester · methyl 5-cyanopyridine-2-carboxylate - [M87384] · 2-Pyridinecarboxylic acid, 5-cyano-, methyl ester · 2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI)

https://huagongshe.com/ko/chemical/45082467

Methyl 5-cyanopyridine-2-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	76196-66-2
분자식	C8H6N2O2
평균 분자량	162.15 g/mol
단동위원소 질량	162.04292743 g/mol
SMILES	COC(=O)c1ccc(C#N)cn1
InChIKey	WJZGQRSIPFDCJX-UHFFFAOYSA-N
PubChem CID	45082467
EC No.	830-398-9
DTXSID	DTXSID90665268

화학 및 물리적 성질

XLogP	0.8
극성 표면적	63
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	218
끓는 점	323.6±27.0 °C(Predicted)
밀도	1.25±0.1 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	-1.75±0.10(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	2933399090

용도

Methyl 5-cyanopyridine-2-carboxylate is used as a pharmaceutical intermediate.