1,3-Difluoro-5-iodobenzene

HCID 2778221CAS 2265-91-0

기본 정보

표준 SMILES: Fc1cc(F)cc(I)c1
InChIKey: QQCFOQNFPIAENW-UHFFFAOYSA-N
분자식: C6H3F2I
평균 분자량: 239.99 g/mol
단동위원소 질량: 239.92475454

이름 및 식별자

우선 이름: 1,3-Difluoro-5-iodobenzene
IUPAC: 1,3-difluoro-5-iodobenzene
영어명: 1,3-Difluoro-5-iodobenzene
분자식: C6H3F2I
분자량: 239.99

이름 및 동의어

1,3-difluoro-5-iodobenzene2265-91-0DTXSID40380818RefChem:72665DTXCID20331843607-122-93,5-Difluoroiodobenzenebenzene, 1,3-difluoro-5-iodo-1,3-difluoro-5-iodo-benzene3,5-difluoro iodobenzeneMFCD030941553,5-difluoro-iodobenzene

이름 더 보기

3-Difluoro-5-iodobenzene3,5-Difluoroiodobenzene98%3,5-Difluoroiodobenzene 98%BENZENE,1,3-DIFLUORO-5-IODO1,3-Difluoro-5-iodobenzene >

SCHEMBL3691623,5-Difluoroiodobenzene, 97%AKOS009158286AC-28613D4620benzene, 1,3-difluoro-5-iodo3,5-DIFLUORO-1-IODOBENZENEAM61430

데이터베이스 식별자

CAS: 2265-91-0
PubChem CID: 2778221
DTXSID: DTXSID40380818
EC Number: 607-122-9
Nikkaji: J149.699I

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 173 · 173-174 °C(lit.)
밀도: 2.004 · 2.004
굴절률: 20 · n20/D 1.5540(lit.)
인화점: 180 °F · 180 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 2041185 · 2041185
InChI: 1S/C6H3F2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: QQCFOQNFPIAENW-UHFFFAOYSA-N
SMILES: Fc1cc(F)cc(I)c1

화학적 성질

Colorless or yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H315 (88.9%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (88.9%)

안전 데이터

wgk: 3
ridadr: 1993
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

일반 설명3,5-Difluoroiodobenzene is an asymmetric top molecule. 3,5-Difluoroiodobenzene reacts with magnesium turnings in the presence of a minimum amount of ether to afford the corresponding Grignard reagent. This reagent is employed in the synthesis of tris(3,5-difluorophenyl)methanol.