1,3-Dibromo-5-fluorobenzene

HCID 137003CAS 1435-51-4

기본 정보

표준 SMILES: Fc1cc(Br)cc(Br)c1
InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N
분자식: C6H3Br2F
평균 분자량: 253.89 g/mol
단동위원소 질량: 251.85855252

이름 및 식별자

우선 이름: 1,3-Dibromo-5-fluorobenzene
IUPAC: 1,3-dibromo-5-fluorobenzene
영어명: 1,3-Dibromo-5-fluorobenzene
분자식: C6H3Br2F
분자량: 253.89

이름 및 동의어

1,3-Dibromo-5-fluorobenzene1435-51-4DTXSID50162445RefChem:414269DTXCID5084936670-854-23,5-dibromofluorobenzene3,5-Dibromo-1-fluorobenzeneBenzene, 1,3-dibromo-5-fluoro-MFCD000611191,3-dibromo-5-fluoro-benzene3,5-bromo-1-fluorophenyl

이름 더 보기

3,5-Bromo-1-f1,3-Dibromo-5-fL1,3-Dibromo-5-fluoro3,5-Dibromofluorobenzene 98%3-?dibromo-?5-?fluoro-benzene1,3-Dibromo-5-fluorobenzene>

3,5-dibromo-fluoro-benzene1-fluoro-3,5-dibromobenzeneSCHEMBL4913731,3-dibromo-5- fluorobenzene1,3-Dibromo-5-fluorobenzene, 97%PB47707DS-13056SY020714

데이터베이스 식별자

CAS: 1435-51-4
PubChem CID: 137003
DTXSID: DTXSID50162445
EC Number: 670-854-2
Nikkaji: J382.987A

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

물리화학적 성질

끓는 점: 204 · 204-206 °C/768 mmHg (lit.)
밀도: 2.018 g/mL · 2.018 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.577(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Yellow to Green
Specific Gravity: 2.02 · 2.02
BRN: 2353462 · 2353462
InChI: InChI=1S/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=CC(Br)=C1

화학적 성질

clear light yellow liquid

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 9 reports by companies from 4 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

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도1,3-Dibromo-5-fluorobenzene may be used in the preparation of ligand 5-fluoro-1,3-di(2-pyridyl)benzene, by a Stille reaction with 2-(tri-nbutylstannyl)pyridine.

일반 설명1,3-Dibromo-5-fluorobenzene is an aryl fluorinated building block.