4-Fluoroiodobenzene (HCID 9605)

이름 및 식별자

우선 이름: 4-Fluoroiodobenzene
IUPAC: 1-fluoro-4-iodobenzene
현지명: 1-플루오로-4-아이오도벤젠
영어명: 1-Fluoro-4-iodobenzene
분자식: C6H4FI
분자량: 222

이름 및 동의어

4-Fluoroiodobenzene1-FLUORO-4-IODOBENZENEp-FluoroiodobenzeneBenzene, 1-fluoro-4-iodo-4-fluoro-1-iodobenzene1-IODO-4-FLUOROBENZENEbenzene, 1-fluoro-4-iodoH2Z2C5X7RWNSC-10280DTXSID7059854RefChem:99025DTXCID0038960

이름 더 보기

1-플루오로-4-아이오도벤젠1-FLFluoroiodobenzeneuoro-4-iodobenzene4-fluoriodobenzeneFluorine iodobenzene

206-522-7InChI=1/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4KGNQDBQYEBMPFZ-UHFFFAOYSA-N352-34-14-Iodofluorobenzenep-IodofluorobenzeneMFCD000010524-Fluoro-iodobenzene

데이터베이스 식별자

CAS: 352-34-1
PubChem CID: 9605
DTXSID: DTXSID7059854
UNII: H2Z2C5X7RW
EC Number: 206-522-7
Nikkaji: J95.444F

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66

물리화학적 성질

녹는점: -20 °C · -20 °C (lit.)
끓는 점: 182 · 182-184 °C (lit.)
밀도: 1.925 g/mL · 1.925 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.583(lit.)
인화점: 155 °F · 155 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.925 · 1.925
색상: 맑은 노란색
수용성: 물에 불용성.
BRN: 1853970 · 1853970
Henry's Law Constant: 4.5 · 4.5×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: KGNQDBQYEBMPFZ-UHFFFAOYSA-N
SMILES: Fc1ccc(I)cc1
NIST: 1 · Benzene, 1-fluoro-4-iodo-(352-34-1)
EPA: p-Fluoroiodobenzene (352-34-1)

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN2810
HS 번호: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39-2637/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-fluoro-4-iodo-: ACTIVE

응용 분야 · 3건

개요4-[18F] Fluoroiodobenzene is a versatile building block in 18F radiochemistry and is used in various transition metal-mediated C-C and C-N cross-coupling reactions. Cross-coupling reaction of 4-fluoroiodobenzene with potassium pentafluorophenyltrifluoroborate in the presence of different palladium catalysts and silver oxide in toluene has been investigated.

용도suzuki reaction

일반 설명4-[18F] Fluoroiodobenzene is a versatile building block in 18F radiochemistry and is used in various transition metal-mediated C-C and C-N cross-coupling reactions. Cross-coupling reaction of 4-fluoroiodobenzene with potassium pentafluorophenyltrifluoroborate in the presence of different palladium catalysts and silver oxide in toluene has been investigated.