Methyl 2-pyridylacetate

HCID 74264

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기본 정보

CAS: 1658-42-0
표준 SMILES: COC(=O)Cc1ccccn1
InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Methyl 2-pyridylacetate
IUPAC: methyl 2-pyridin-2-ylacetate
영어명: METHYL 2-PYRIDYLACETATE
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

Methyl 2-pyridylacetate1658-42-02-Pyridineacetic acid, methyl esterEINECS 216-759-8DTXSID90168027NSC 72093RefChem:157385DTXCID8090518216-759-8ORAKNQSHWMHCEY-UHFFFAOYSA-Nmethyl 2-(pyridin-2-yl)acetate2-Pyridylacetic Acid Methyl Ester

이름 더 보기

METHYLPYRIDYL-2 ACETATEMethyl2-Pyridylacetate>METHYL PYRIDIN-2-YLACETATEMethyl 2-pyridylacetate,98%

methyl 2-pyridin-2-ylacetatemethyl 2-(2-pyridyl)acetate2-Pyridineacetic Acid Methyl EsterMETHYL PYRIDINE-2-ACETATEMFCD00006358Methyl 2-PyridineacetateMethyl 2-pyridinylacetate2-[(Methoxycarbonyl)methyl]pyridine

데이터베이스 식별자

CAS: 1658-42-0
PubChem CID: 74264
DTXSID: DTXSID90168027
UNII: 237A7LB4JC
EC Number: 216-759-8
Nikkaji: J149.937H

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 103 °C/0.5 · 103 °C/0.5 mmHg (lit.)
밀도: 1.119 g/mL · 1.119 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.506(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.35 · 4.35±0.12(Predicted)
색상: Light yellow to Amber to Dark green
InChI: 1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccccn1

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.