3-Fluoropyridine (HCID 67794)

이름 및 식별자

우선 이름: 3-Fluoropyridine
IUPAC: 3-fluoropyridine
현지명: 플로로피리딘
영어명: 3-Fluoropyridine
분자식: C5H4FN
분자량: 97.09

이름 및 동의어

3-Fluoropyridine372-47-4Pyridine, 3-fluoro-CCRIS 1717NSC 5078EINECS 206-755-4DTXSID10190688RefChem:93977Pyridine, 3-fluoro-(8CI)DTXCID50113179Pyridine, 3-fluoro-(8CI)(9CI)206-755-4

이름 더 보기

플로로피리딘플로로피리딘(3-)3-플루오로피리딘2503-Floro-pyridine3-Fluoroypyridine3-Fluoropyridine>Pyridine, 3-fluoro-3-Fluoropyridine 98%3-Fluoropyridine,98%3-Fluoropyridine,99%3-Fluoropyridine, 99% 1GR

CELKOWQJPVJKIL-UHFFFAOYSA-NInChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4MFCD00006374AP9KGY2VWZNSC-50783-fluropyridine3-fluoro-pyridineUNII-AP9KGY2VWZ

데이터베이스 식별자

CAS: 372-47-4
PubChem CID: 67794
DTXSID: DTXSID10190688
ChEMBL: CHEMBL1162361
UNII: AP9KGY2VWZ
EC Number: 206-755-4
Nikkaji: J150.742G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

녹는점: 251 · 251-254°C (dec.)
끓는 점: 107 · 107-108 °C (lit.)
밀도: 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 56 °F · 56 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1:2.97(+1) (25°C)
Specific Gravity: 1.13 · 1.130
색상: 맑은 노란색
BRN: 105702 · 105702
InChI: InChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey: CELKOWQJPVJKIL-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1F
NIST: 3 · 3-F-pyridine(372-47-4)

화학적 성질

clear, colorless to yellow liquid.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29333990
risk_code: 11-36/37/38-20/21/22
hazard_code: F,Xi,Xn
safety_code: 16-26-36/37/39-33-7/9
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도3-Fluoropyridine was used in the synthesis of 3-halopyridin-4-yl-boronic acids and esters.

일반 설명3-Fluoropyridine is oxidized to corresponding N-oxides, which on treatment with hot acetic anhydride and hydrolysis yields 3-halo-2-pyridones. Microwave spectrum of 3-fluoropyridine has been investigated in the frequency range of 8-18GHz at dry ice temperature. Deprotonation of 3-fluoropyridine with Bu3MgLi in THF at -10°C has been studied.

제조 방법

A combination of CsF and HF provides a very reactive fluoride source and has shown faint promise with 3-chloropyridine giving 3-fluoropyridine in a very low yield.