Pyridine, 3-fluoro-, 1-oxide

HCID 123084

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 695-37-4
표준 SMILES: [O-][n+]1cccc(F)c1
InChIKey: QVGBDRDOWKIYHK-UHFFFAOYSA-N
분자식: C5H4FNO
평균 분자량: 113.09 g/mol
단동위원소 질량: 113.02769197

이름 및 식별자

우선 이름: Pyridine, 3-fluoro-, 1-oxide
IUPAC: 3-fluoro-1-oxidopyridin-1-ium
영어명: 3-Fluoropyridine N-oxide
분자식: C5H4FNO
분자량: 113.09

이름 및 동의어

3-Fluoropyridine 1-oxide695-37-43-fluoropyridin-1-ium-1-olatePyridine, 3-fluoro-, 1-oxideDTXSID40219730RefChem:870654DTXCID90142221677-001-33-Fluoropyridine N-oxide3-Fluoropyridine-N-oxide3-fluoro-1-oxidopyridin-1-iumMFCD03095181

이름 더 보기

3-fluoro-1$l^{5}-pyridin-1-one3-fluoro-1-oxido-pyridin-1-ium3-fluoro-1-oxidanidyl-pyridin-1-ium3-FLUOROPYRIDINE N-OXIDE ISO 9001：2015 REACH

3-Fluoropyridine-1-oxide3-Fluoropyridine1-oxide1-oxido-3-fluoropyridine3-fluoro-pyridine 1-oxide3-fluoro-pyridine-1-oxideSCHEMBL506482SCHEMBL1515580SCHEMBL6552079

데이터베이스 식별자

CAS: 695-37-4
PubChem CID: 123084
DTXSID: DTXSID40219730
EC Number: 677-001-3
Nikkaji: J946.823D

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 25.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.8

물리화학적 성질

녹는점: 65 · 65-68°C
끓는 점: 275 ℃ · 275℃
밀도: 1.18 · 1.18
인화점: 120 ℃ · 120℃
산도 계수 (pKa): 0.16 · 0.16±0.10(Predicted)
수용성: 물에 약간 용해됩니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): 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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38
safety_code: 26-36

화학 및 산업

응용 분야 · 2건

개요3-Fluoropyridine N-oxide is an important organic synthetic intermediate and chemical reagent. It introduces a fluorine atom at the meta position of the pyridine ring and activates the entire molecule through the N-oxide group, giving it unique applications in medicinal chemistry, materials science, and radioisotope labeling. It is typically a white or slightly yellow solid used to construct more complex molecular structures.

용도3-FLUOROPYRIDINE N-OXIDE is utilized as a reagent in organic synthesis, particularly for the preparation of heterocyclic compounds. Known for its mild toxicity and limited environmental impact, 3-Fluoropyridine N-oxide is a favorable choice for various industrial and research applications.