Ethyl pyridine-4-acetate

ETHYL 4-PYRIDYLACETATE · ethyle4-pyridylacetate · ETHYL 4-PYRIDINEACETATE · ETHYL PYRIDINE-4-ACETATE · Ethyl4-Pyridylacetate>Ethyl 4-pyridinylacetate · Ethyl4-pyridylacetate,98% · Ethyl Pyridin-4-ylacetate · Ethyl 2-(4-pyridyl)acetate

https://huagongshe.com/ko/chemical/736321

식별자 및 물리적 특성

CAS No.	54401-85-3
분자식	C9H11NO2
평균 분자량	165.19 g/mol
단동위원소 질량	165.07897859 g/mol
SMILES	CCOC(=O)Cc1ccncc1
InChIKey	QVLJLWHOILVHJJ-UHFFFAOYSA-N
PubChem CID	736321
EC No.	259-150-2
DTXSID	DTXSID30202797

화학 및 물리적 성질

XLogP	0.7
극성 표면적	39.2
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	12
형식 전하	0
복잡도	141
SpringerMaterials Properties	Chemical shift
녹는점	18-19 °C (lit.)
끓는 점	127-128 °C/14 mmHg (lit.)
밀도	1.079 g/mL at 25 °C (lit.)
굴절률	n20/D 1.499(lit.)
인화점	>230 °F
저장 조건	Inert atmosphere,Room Temperature
pKa(산도 계수)	5.33±0.10(Predicted)
BRN	123786
InChI	InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
InChIKey	QVLJLWHOILVHJJ-UHFFFAOYSA-N
SMILES	C1=NC=CC(CC(OCC)=O)=C1

안전 및 규제

GHS 분류	WarningH315 (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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29333999
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

Ethyl 4-Pyridylacetate shows potential ability as an anticonvulsant and also exhibits neuropathic pain-attenuating properties.

일반 설명

Ethyl 4-pyridylacetate is an ethyl ester of 4-pyridyl acetic acid. Its hydrochloride salt was used to prepare the starting material required for the synthesis of 2,2-dideutero-1-azabicyclo(2,2,2)-octane. It participates as a reagent in the synthesis of triarylethane phosphodiesterase 4 inhibitors.