5-Bromo-1,3-difluoro-2-iodobenzene

HCID 2782702CAS 160976-02-3

기본 정보

표준 SMILES: Fc1cc(Br)cc(F)c1I
InChIKey: NLWAKVGODLJALJ-UHFFFAOYSA-N
분자식: C6H2BrF2I
평균 분자량: 318.88 g/mol
단동위원소 질량: 317.8352666

이름 및 식별자

우선 이름: 5-Bromo-1,3-difluoro-2-iodobenzene
IUPAC: 5-bromo-1,3-difluoro-2-iodobenzene
영어명: 4-Bromo-2,6-difluoroiodobenzene
분자식: C6H2BrF2I
분자량: 318.89

이름 및 동의어

5-Bromo-1,3-difluoro-2-iodobenzeneRefChem:532702678-230-1160976-02-34-bromo-2,6-difluoroiodobenzene2,6-difluoro-4-bromoiodobenzene1-Bromo-3,5-difluoro-4-iodobenzeneBenzene, 5-bromo-1,3-difluoro-2-iodo-5-bromo-1,3-difluoro-2-iodo-benzeneMFCD01861126DTXSID703822244-bromo-2,6-difluoro-1-iodobenzene

이름 더 보기

Bromodifluoroiodobenzene4-Bromo-2,6-difluoroiodobe5-BROMO-1,3-DIFLUORO-2-IODOBENZNE5-Bromo-1,3-difluoro-2-iodobenzene >

AKOS005254968CS-W012011DS-1698B30584-bromo-2,6 difluoro-1-iodobenzene2,6-Difluoro-4-Bromo IodobenzeneAM61337FT-0746828

데이터베이스 식별자

CAS: 160976-02-3
PubChem CID: 2782702
DTXSID: DTXSID70382224
EC Number: 678-230-1
Nikkaji: J2.651.180A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 40 · 40-41°C
끓는 점: 236.1 · 236.1±35.0 °C(Predicted)
밀도: 2.342 · 2.342±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
물리적 상태: 크리스탈
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey: NLWAKVGODLJALJ-UHFFFAOYSA-N
SMILES: C1(F)=CC(Br)=CC(F)=C1I

화학적 성질

Off-white to light brown solid

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 3 reports by companies from 3 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

HS 번호: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도Due to its unique chemical structure, 4-Bromo-2,6-difluoroiodobenzene contains halogen atoms such as bromine, fluorine, and iodine, and can participate in a variety of chemical reactions, such as cross-coupling reactions, nucleophilic substitution reactions, rearrangement reactions, etc.

상·하류 제품 정보

상류 원료

1-브로모-3,5-디플로로벤젠

공급사50 곳

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