2-Fluoro-4-iodopyridine

HCID 7023570

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22282-70-8
표준 SMILES: Fc1cc(I)ccn1
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
분자식: C5H3FIN
평균 분자량: 222.99 g/mol
단동위원소 질량: 222.92942532

이름 및 식별자

우선 이름: 2-Fluoro-4-iodopyridine
IUPAC: 2-fluoro-4-iodopyridine
영어명: 2-Fluoro-4-iodopyridine
분자식: C5H3FIN
분자량: 222.99

이름 및 동의어

2-Fluoro-4-iodopyridine22282-70-8DTXSID80427514RefChem:87079DTXCID10378348681-832-74-Iodo-2-fluoropyridine2-fluoro-4-iodo-pyridineMFCD03092926Pyridine, 2-fluoro-4-iodo-CS-B0944ZB1367

이름 더 보기

uoro-4-iodopyridine2-Fluor-4-iodopyridine2-Fluoro-4-iodopyridine>2-Fluoro-4-iodopyridine AldrichCPR2-Fluoro-4-iodopyridine ISO 9001：2015 REACH

AC-4556PS-7808F07732-fluoro-4-iodo pyridinefluoro-4-iodo pyridineA4789AM20050963SCHEMBL256099

데이터베이스 식별자

CAS: 22282-70-8
PubChem CID: 7023570
DTXSID: DTXSID80427514
EC Number: 681-832-7
Nikkaji: J566.223K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 12.9 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: 57 °C · 57 °C
끓는 점: 223 · 223.0±20.0 °C(Predicted)
밀도: 2.046 · 2.046±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -1.81 · -1.81±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C5H3FIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(I)=C1

화학적 성질

Salmon-coloured solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2933399990
risk_code: 20/21/22-36/37/38-22
hazard_code: Xn
safety_code: 22-26-36/37/39
위험 등급: IRRITANT
위험 참고 사항: Harmful

화학 및 산업

응용 분야 · 1건

용도2-Fluoro-4-iodopyridine serves as a key building block in organic synthesis[6]. The compound acts as a precursor for synthesizing secondary alcohols via iodo–magnesium exchange with isopropyl magnesium chloride, followed by reaction with substituted benzaldehydes[6][8]. It undergoes palladium-catalyzed coupling with aryl or alkyl amines using Pd(OAc)2 and BINAP in anhydrous toluene with K2CO3 as base[7]. 2-Fluoro-4-iodopyridine functions as a starting material for multi-step synthetic routes, including the preparation of thrombin inhibitor analogues.