3-Methoxypyridine

HCID 23719CAS 7295-76-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccnc1
InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N
분자식: C6H7NO
평균 분자량: 109.13 g/mol
단동위원소 질량: 109.05276384

개요

3-methoxypyridine has been reported in Camellia sinensis with data available.

이름 및 식별자

우선 이름: 3-Methoxypyridine
IUPAC: 3-methoxypyridine
영어명: 3-Methoxypyridine
분자식: C6H7NO
분자량: 109.13

이름 및 동의어

3-METHOXYPYRIDINE7295-76-3Pyridine, 3-methoxy-beta-Methoxypyridine.beta.-MethoxypyridineUNII-XV2A2D8595XV2A2D8595EINECS 230-730-7DTXSID60223238RefChem:94664DTXCID60145729230-730-7

이름 더 보기

3-Methoxypyridine>3-Methoxypyridine 97%3-Methoxypyridine,97%

InChI=1/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1HUMJSCPRVCHMLSP-UHFFFAOYSA-NMFCD006730223-methoxy-pyridine3-methoxypiridiness--Methoxypyridine3-Methoxypyridine, 97%SCHEMBL162478

데이터베이스 식별자

CAS: 7295-76-3
PubChem CID: 23719
DTXSID: DTXSID60223238
UNII: XV2A2D8595
EC Number: 230-730-7
Nikkaji: J110.373C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 203 °C · 203 °C
끓는 점: 65 °C/15 · 65 °C/15 mmHg (lit.)
밀도: 1.083 g/mL · 1.083 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.518(lit.)
인화점: 159 °F · 159 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 4.78 · 4.78(at 25℃)
색상: 무색투명~미황색
InChI: InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1OC
LogP: 0.99 · 0.990
NIST: 3 · Pyridine, 3-methoxy-(7295-76-3)

화학적 성질

Clear colorless to slightl 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk: 3
HS 번호: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도3-Methoxypyridine was used in the study of structure-activity relationships of pyridines as Sir2 histone/protein deacetylase inhibitors.

일반 설명3-Methoxypyridine is a substituted pyridine. Kinetics of the oxidation of 3-methoxypyridine mediated by sulphate radicals has been investigated by flash photolysis of peroxodisulphate, S2O82-. Ortho lithiation of 3-methoxypyridine has been studied using mesityllithium as the metalating base.