5-플루오로-2-하이드록시피리미딘

5-Fluoropyrimidin-2-one

HCID 101498CAS 2022-78-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1ncc(F)c[nH]1
InChIKey: HPABFFGQPLJKBP-UHFFFAOYSA-N
분자식: C4H3FN2O
평균 분자량: 114.08 g/mol
단동위원소 질량: 114.02294094

개요

5-fluoro-1H-pyrimidin-2-one is an organohalogen compound and a member of pyrimidines.

이름 및 식별자

우선 이름: 5-Fluoropyrimidin-2-one
IUPAC: 5-fluoro-1H-pyrimidin-2-one
현지명: 5-플루오로-2-하이드록시피리미딘
영어명: 5-Fluoro-2-hydroxypyrimidine
분자식: C4H3FN2O
분자량: 114.08

이름 및 동의어

2022-78-85-Fluoropyrimidin-2-one2-Hydroxy-5-fluoropyrimidine5-Fluoro-2(1H)-pyrimidinone1VXI7T1BI54-deoxy-5-fluorouracilNSC-529069DTXSID90174067RefChem:535999DTXCID60965585-fluoropyrimidin-2-ol5-Fluoro-2-hydroxypyrimidine

이름 더 보기

5-플루오로-2-하이드록시피리미딘Compound Fr143705-fluoro-2-pyrimidinone5-FLUORO-2(1H)-PYRIMIDONE

5-Fluoropyrimidin-2(1H)-one214290-48-95-fluoro-1H-pyrimidin-2-one2(1H)-Pyrimidinone, 5-fluoro-5-Fluoro-2-pyrimidinol5-fluoro-2-pyrimidone5-fluoro-pyrimidin-2-ol5-fluoropyrimid-2-one

데이터베이스 식별자

CAS: 2022-78-8、214290-48-9
PubChem CID: 101498
DTXSID: DTXSID90174067
ChEMBL: CHEMBL4303165
ChEBI: CHEBI:125539
UNII: 1VXI7T1BI5
EC Number: 624-556-4、851-599-8
Nikkaji: J648.108F

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 173

물리화학적 성질

녹는점: 170 · 170-174 °C
밀도: 1.46 · 1.46±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 7.39 · 7.39±0.10(Predicted)
InChI: 1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey: HPABFFGQPLJKBP-UHFFFAOYSA-N
SMILES: Oc1ncc(F)cn1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Fluoro-2-hydroxypyrimidine can be used as a reactant in the preparation of: Manganese fluoro(hydroxy)pyrimidinato aqua dinuclear complex [Mn2(Fpymo)4(H2O)4]. 2-Chloro-5-fluoropyrimidine by treating with POCl3.