Ethyl 2-pyridylacetate

HCID 75960CAS 2739-98-2

기본 정보

표준 SMILES: CCOC(=O)Cc1ccccn1
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Ethyl 2-pyridylacetate
IUPAC: ethyl 2-pyridin-2-ylacetate
영어명: Ethyl 2-pyridylacetate
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

Ethyl 2-pyridylacetate2739-98-2DTXSID90181817EINECS 220-365-1NSC 82347RefChem:594517DTXCID30104308220-365-1ethyl 2-(pyridin-2-yl)acetateEthyl pyridine-2-acetateethyl 2-pyridin-2-ylacetateMFCD00006359

이름 더 보기

2-Pyridyl ethyl acetateEthyl2-Pyridylacetate>Ethyl2-pyridylacetate,98%Ethyl 2-pyridylacetate 98%Ethyl 2-Pyridylacetate,>97%

2-Pyridineacetic Acid Ethyl Ester2-Pyridineacetic acid, ethyl esterethyl 2-(2-pyridyl)acetateEthyl (pyridin-2-yl)acetateEthyl 2-pyridineacetate2-Pyridylacetic Acid Ethyl Esterethyl pyrid-2-ylacetate3YNQ9EN6RL

데이터베이스 식별자

CAS: 2739-98-2
PubChem CID: 75960
DTXSID: DTXSID90181817
UNII: 3YNQ9EN6RL
EC Number: 220-365-1
Nikkaji: J157K

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 136 · 136-137 °C
끓는 점: 70 °C/0.05 · 70 °C/0.05 mmHg (lit.)
밀도: 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.497(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: soluble in DCM, Methanol
산도 계수 (pKa): 4.45 · 4.45±0.12(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
수용성: 물에 용해됩니다.
BRN: 123817 · 123817
InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)=NC=CC=C1

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.