6-플루오로-3-피린딘카르복실산

6-Fluoronicotinic Acid

HCID 242819CAS 403-45-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(F)nc1
InChIKey: UJDLCTNVHJEBDG-UHFFFAOYSA-N
분자식: C6H4FNO2
평균 분자량: 141.1 g/mol
단동위원소 질량: 141.02260659

이름 및 식별자

우선 이름: 6-Fluoronicotinic Acid
IUPAC: 6-fluoropyridine-3-carboxylic acid
현지명: 6-플루오로-3-피린딘카르복실산
영어명: 6-Fluoronicotinic acid
분자식: C6H4FNO2
분자량: 141.1

이름 및 동의어

6-Fluoronicotinic acidDTXSID80287610RefChem:543255DTXCID30238758637-033-0403-45-26-Fluoropyridine-3-carboxylic acid2-fluoropyridine-5-carboxylic acidMFCD018598636-fluoro-3-pyridinecarboxylic acid2-Fluoro-5-pyridinecarboxylic Acid6-fluoro nicotinic acid

이름 더 보기

6-플루오로-3-피린딘카르복실산uoronicotinic acid6-Fluoronicotinicaci6-Fluoronicotinc Acid6-Floronicotinic acid6-Fluoronicotinicacid98%6-FluoronicotinicAcid>6-Fluoronicotinic acid 98%6-FLUOROPYRIDINE-3-FORMIC ACID6-Fluoropyridin-3-carboxylic acid

2-Fluoro-5-pyridine carboxylic acidSCHEMBL646556CS-W019722PS-9025SY004391EN300-756686-FluoronicotinicacidNSC51767

데이터베이스 식별자

CAS: 403-45-2
PubChem CID: 242819
DTXSID: DTXSID80287610
ChEMBL: CHEMBL247112
EC Number: 637-033-0
Nikkaji: J2.174.933H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 144 · 144-148 °C(lit.)
끓는 점: 309.4 · 309.4±22.0 °C(Predicted)
밀도: 1.419 · 1.419±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.41 · 3.41±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKey: UJDLCTNVHJEBDG-UHFFFAOYSA-N
SMILES: C1=NC(F)=CC=C1C(O)=O

화학적 성질

White to Orange to Green powder to crystal.

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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도6-Fluoronicotinic acid is a fluorinated nicotinic acid that is a derivative of pyridine, with a carboxylic acid at 3-position and a fluorine at 6-position. It is used as a pharmaceutical intermediate and a molecular scaffold to synthesize tracers for positron emission tomography, for visualizing and measuring changes in metabolic processes.